smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)C1=O ZINC000050798260 1073656767 /nfs/dbraw/zinc/65/67/67/1073656767.db2.gz XINBCALUSCOMOS-UHFFFAOYSA-N 2 0 379.505 -0.648 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051959042 1073888906 /nfs/dbraw/zinc/88/89/06/1073888906.db2.gz VILSKESDXNHTQY-UHFFFAOYSA-N 2 0 395.548 -0.737 20 0 GBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000069505927 1073578100 /nfs/dbraw/zinc/57/81/00/1073578100.db2.gz NFUYVWPZHSTWGA-QGZVFWFLSA-N 2 0 383.537 -0.069 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000103211016 530297667 /nfs/dbraw/zinc/29/76/67/530297667.db2.gz UUNQIECAYBHBGU-UHFFFAOYSA-N 2 0 390.282 -0.749 20 0 GBADRP C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000103303108 1073472724 /nfs/dbraw/zinc/47/27/24/1073472724.db2.gz UCIUKERPISFUCK-UHFFFAOYSA-N 2 0 394.564 -0.038 20 0 GBADRP Cn1c(=O)c2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc2n(C)c1=O ZINC000104532995 1073477304 /nfs/dbraw/zinc/47/73/04/1073477304.db2.gz AIGDKZFFIGHTRS-UHFFFAOYSA-N 2 0 376.461 -0.802 20 0 GBADRP Cn1c(=O)c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc2n(C)c1=O ZINC000104533158 1073477787 /nfs/dbraw/zinc/47/77/87/1073477787.db2.gz INUNWOKICDIEFK-UHFFFAOYSA-N 2 0 376.461 -0.802 20 0 GBADRP CN(C(=O)c1ccn(C)c(=O)c1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000106041321 1073355097 /nfs/dbraw/zinc/35/50/97/1073355097.db2.gz BQROPROTQUGKTJ-UHFFFAOYSA-N 2 0 389.500 -0.304 20 0 GBADRP CN(C(=O)Cn1ccccc1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000106041585 1073354490 /nfs/dbraw/zinc/35/44/90/1073354490.db2.gz XDOLJVRJQZFZJL-UHFFFAOYSA-N 2 0 389.500 -0.455 20 0 GBADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119220830 1073934395 /nfs/dbraw/zinc/93/43/95/1073934395.db2.gz LSYXOOLPGKKFSH-ROUUACIJSA-N 2 0 394.564 -0.182 20 0 GBADRP C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119220945 1073448961 /nfs/dbraw/zinc/44/89/61/1073448961.db2.gz LSYXOOLPGKKFSH-MSOLQXFVSA-N 2 0 394.564 -0.182 20 0 GBADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119221051 1073934715 /nfs/dbraw/zinc/93/47/15/1073934715.db2.gz LSYXOOLPGKKFSH-ZWKOTPCHSA-N 2 0 394.564 -0.182 20 0 GBADRP C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000119221162 1073449138 /nfs/dbraw/zinc/44/91/38/1073449138.db2.gz LSYXOOLPGKKFSH-QZTJIDSGSA-N 2 0 394.564 -0.182 20 0 GBADRP CC(C)(O)C[NH+]1CCN(CC2(CN3CC[NH+](CC(C)(C)O)CC3)COC2)CC1 ZINC000119387512 1072068356 /nfs/dbraw/zinc/06/83/56/1072068356.db2.gz YTQYLNWLDKFNCC-UHFFFAOYSA-N 2 0 398.592 -0.220 20 0 GBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000125721073 1072385427 /nfs/dbraw/zinc/38/54/27/1072385427.db2.gz LFGRLTWDVSVQCQ-UHFFFAOYSA-N 2 0 391.520 -0.377 20 0 GBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139177153 1072302683 /nfs/dbraw/zinc/30/26/83/1072302683.db2.gz SZOVPWDDEBIHTH-IRXDYDNUSA-N 2 0 380.537 -0.430 20 0 GBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139177267 1072302830 /nfs/dbraw/zinc/30/28/30/1072302830.db2.gz SZOVPWDDEBIHTH-SJORKVTESA-N 2 0 380.537 -0.430 20 0 GBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000139177371 1072302428 /nfs/dbraw/zinc/30/24/28/1072302428.db2.gz SZOVPWDDEBIHTH-DLBZAZTESA-N 2 0 380.537 -0.430 20 0 GBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000139177475 1072302621 /nfs/dbraw/zinc/30/26/21/1072302621.db2.gz SZOVPWDDEBIHTH-IAGOWNOFSA-N 2 0 380.537 -0.430 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000151456504 1072523796 /nfs/dbraw/zinc/52/37/96/1072523796.db2.gz VUBOEKSOSCRQOF-UHFFFAOYSA-N 2 0 391.520 -0.377 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000167404062 1073376097 /nfs/dbraw/zinc/37/60/97/1073376097.db2.gz UYWXJWQNCKFCMM-UHFFFAOYSA-N 2 0 377.493 -0.171 20 0 GBADRP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000179284846 1073864856 /nfs/dbraw/zinc/86/48/56/1073864856.db2.gz NWHFCSWGTRXALS-GOSISDBHSA-N 2 0 394.564 -0.040 20 0 GBADRP C[NH+](C)C1CCN(CCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000179284854 1073864722 /nfs/dbraw/zinc/86/47/22/1073864722.db2.gz NWHFCSWGTRXALS-SFHVURJKSA-N 2 0 394.564 -0.040 20 0 GBADRP OC(CN1CC[C@H](C[NH+]2CCOCC2)C1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000181800950 1073870545 /nfs/dbraw/zinc/87/05/45/1073870545.db2.gz SJQANCWCNIKPJB-WOJBJXKFSA-N 2 0 396.576 -0.345 20 0 GBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186146259 1073205688 /nfs/dbraw/zinc/20/56/88/1073205688.db2.gz VVZBUGPVHQEHFP-SFHVURJKSA-N 2 0 394.564 -0.038 20 0 GBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186146282 1073205940 /nfs/dbraw/zinc/20/59/40/1073205940.db2.gz VVZBUGPVHQEHFP-GOSISDBHSA-N 2 0 394.564 -0.038 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237904522 1073771901 /nfs/dbraw/zinc/77/19/01/1073771901.db2.gz HEPNNLHWBPROGJ-QGZVFWFLSA-N 2 0 388.516 -0.093 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237946990 1073772906 /nfs/dbraw/zinc/77/29/06/1073772906.db2.gz HEPNNLHWBPROGJ-KRWDZBQOSA-N 2 0 388.516 -0.093 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255907766 1072977941 /nfs/dbraw/zinc/97/79/41/1072977941.db2.gz OMEJQQHZSYZANZ-DOOKAGJSSA-N 2 0 391.516 -0.028 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255907768 1072977801 /nfs/dbraw/zinc/97/78/01/1072977801.db2.gz OMEJQQHZSYZANZ-IBSYWUHOSA-N 2 0 391.516 -0.028 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC(=O)N1CCOCC1 ZINC000271877255 1072365027 /nfs/dbraw/zinc/36/50/27/1072365027.db2.gz HOCGEXBPBIFZQS-UHFFFAOYSA-N 2 0 390.488 -0.248 20 0 GBADRP C[NH+](C)C/C=C/C(=O)NCCC(=O)N1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000272260493 1072375129 /nfs/dbraw/zinc/37/51/29/1072375129.db2.gz BQZVQWTZZJFNJJ-KQQUZDAGSA-N 2 0 379.505 -0.601 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000272475498 1072382549 /nfs/dbraw/zinc/38/25/49/1072382549.db2.gz DXYPIVJFPRSAMZ-UHFFFAOYSA-N 2 0 378.477 -0.149 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCN1CCNC(=O)C1 ZINC000272930370 1072406246 /nfs/dbraw/zinc/40/62/46/1072406246.db2.gz LAUATJQWWJOKBL-UHFFFAOYSA-N 2 0 389.504 -0.675 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984669 1072498166 /nfs/dbraw/zinc/49/81/66/1072498166.db2.gz IXUSLOHYLUVFKR-AWEZNQCLSA-N 2 0 390.488 -0.007 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275984672 1072498329 /nfs/dbraw/zinc/49/83/29/1072498329.db2.gz IXUSLOHYLUVFKR-CQSZACIVSA-N 2 0 390.488 -0.007 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109193 1072561122 /nfs/dbraw/zinc/56/11/22/1072561122.db2.gz XJRXJPJUDXPYST-HNNXBMFYSA-N 2 0 393.492 -0.819 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000276109195 1072561654 /nfs/dbraw/zinc/56/16/54/1072561654.db2.gz XJRXJPJUDXPYST-OAHLLOKOSA-N 2 0 393.492 -0.819 20 0 GBADRP CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000284077959 1072701656 /nfs/dbraw/zinc/70/16/56/1072701656.db2.gz PLQHPPVVCOWEHT-QGZVFWFLSA-N 2 0 389.500 -0.314 20 0 GBADRP CN(CCC[N@H+](C)CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH+](C)C ZINC000289353507 1072802979 /nfs/dbraw/zinc/80/29/79/1072802979.db2.gz GMUKYHXJNYXFKN-UHFFFAOYSA-N 2 0 393.532 -0.018 20 0 GBADRP C[NH+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000289651403 530257183 /nfs/dbraw/zinc/25/71/83/530257183.db2.gz GEOLISPFKMYRRL-UHFFFAOYSA-N 2 0 378.520 -0.634 20 0 GBADRP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)C[C@@H]2C)[NH+](C)C1 ZINC000328950930 1072218081 /nfs/dbraw/zinc/21/80/81/1072218081.db2.gz HPGHBBBPPJRAKS-WOYTXXSLSA-N 2 0 382.505 -0.516 20 0 GBADRP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)C[C@H]2C)[NH+](C)C1 ZINC000329009407 1072255832 /nfs/dbraw/zinc/25/58/32/1072255832.db2.gz HPGHBBBPPJRAKS-XAJHFOFHSA-N 2 0 382.505 -0.516 20 0 GBADRP CO[C@H]1C[C@@H](C(=O)N2[C@H](C)CN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)C[C@@H]2C)[NH+](C)C1 ZINC000329064556 1072361892 /nfs/dbraw/zinc/36/18/92/1072361892.db2.gz ONOBQFZCKPQHEJ-COZGXFGHSA-N 2 0 396.532 -0.128 20 0 GBADRP C[C@@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)n1cncn1 ZINC000329181949 1073354358 /nfs/dbraw/zinc/35/43/58/1073354358.db2.gz NQAPYLUHIPNUDT-HNNXBMFYSA-N 2 0 377.493 -0.464 20 0 GBADRP C[C@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)n1cncn1 ZINC000329181950 1073353906 /nfs/dbraw/zinc/35/39/06/1073353906.db2.gz NQAPYLUHIPNUDT-OAHLLOKOSA-N 2 0 377.493 -0.464 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000329868811 1073385291 /nfs/dbraw/zinc/38/52/91/1073385291.db2.gz XWUZMTXRICMLQS-IYBDPMFKSA-N 2 0 387.550 -0.504 20 0 GBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000330086928 1073394717 /nfs/dbraw/zinc/39/47/17/1073394717.db2.gz MSQJRMSQSMLFSI-BZSNNMDCSA-N 2 0 396.532 -0.387 20 0 GBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000330086929 1073394447 /nfs/dbraw/zinc/39/44/47/1073394447.db2.gz MSQJRMSQSMLFSI-FGTMMUONSA-N 2 0 396.532 -0.387 20 0 GBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000330086930 1073394501 /nfs/dbraw/zinc/39/45/01/1073394501.db2.gz MSQJRMSQSMLFSI-OKZBNKHCSA-N 2 0 396.532 -0.387 20 0 GBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000330086931 1073394833 /nfs/dbraw/zinc/39/48/33/1073394833.db2.gz MSQJRMSQSMLFSI-SQNIBIBYSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)O3)C[C@H]2C1 ZINC000330296823 1073405575 /nfs/dbraw/zinc/40/55/75/1073405575.db2.gz GNSYMPSECBJWIQ-COYYTBTLSA-N 2 0 376.501 -0.426 20 0 GBADRP C[NH+]1CCC(NS(=O)(=O)CCCS(=O)(=O)NC2CC[NH+](C)CC2)CC1 ZINC000331571272 530292984 /nfs/dbraw/zinc/29/29/84/530292984.db2.gz ZORRNCZAZJQTFC-UHFFFAOYSA-N 2 0 396.579 -0.596 20 0 GBADRP C[NH+](C)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000332299565 530293828 /nfs/dbraw/zinc/29/38/28/530293828.db2.gz JCHIRXZYTCQQCZ-GASCZTMLSA-N 2 0 396.579 -0.692 20 0 GBADRP C[NH+](C)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000332299614 530293897 /nfs/dbraw/zinc/29/38/97/530293897.db2.gz JCHIRXZYTCQQCZ-GJZGRUSLSA-N 2 0 396.579 -0.692 20 0 GBADRP C[NH+](C)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000332299620 530293606 /nfs/dbraw/zinc/29/36/06/530293606.db2.gz JCHIRXZYTCQQCZ-HUUCEWRRSA-N 2 0 396.579 -0.692 20 0 GBADRP CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C[C@@H]1C ZINC000349512222 530366450 /nfs/dbraw/zinc/36/64/50/530366450.db2.gz VFWCABKKDOVDQU-AWEZNQCLSA-N 2 0 390.531 -0.009 20 0 GBADRP CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C[C@H]1C ZINC000349512224 530366558 /nfs/dbraw/zinc/36/65/58/530366558.db2.gz VFWCABKKDOVDQU-CQSZACIVSA-N 2 0 390.531 -0.009 20 0 GBADRP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC000349603849 530342530 /nfs/dbraw/zinc/34/25/30/530342530.db2.gz OCAHSAPLFGLOMJ-AWEZNQCLSA-N 2 0 390.531 -0.185 20 0 GBADRP Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC000349603850 530342427 /nfs/dbraw/zinc/34/24/27/530342427.db2.gz OCAHSAPLFGLOMJ-CQSZACIVSA-N 2 0 390.531 -0.185 20 0 GBADRP CNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786749 530304302 /nfs/dbraw/zinc/30/43/02/530304302.db2.gz CFSNXWVVRCYRRI-GASCZTMLSA-N 2 0 396.579 -0.596 20 0 GBADRP CNS(=O)(=O)[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000362786750 530304291 /nfs/dbraw/zinc/30/42/91/530304291.db2.gz CFSNXWVVRCYRRI-GJZGRUSLSA-N 2 0 396.579 -0.596 20 0 GBADRP CNS(=O)(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000362786751 530304103 /nfs/dbraw/zinc/30/41/03/530304103.db2.gz CFSNXWVVRCYRRI-HUUCEWRRSA-N 2 0 396.579 -0.596 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363390336 1072498143 /nfs/dbraw/zinc/49/81/43/1072498143.db2.gz SLBNVYJKCIWZRD-SJORKVTESA-N 2 0 379.505 -0.201 20 0 GBADRP NS(=O)(=O)[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923266 530153403 /nfs/dbraw/zinc/15/34/03/530153403.db2.gz KXNYTHHAACKVOP-GASCZTMLSA-N 2 0 396.579 -0.338 20 0 GBADRP NS(=O)(=O)[C@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000364923267 530153430 /nfs/dbraw/zinc/15/34/30/530153430.db2.gz KXNYTHHAACKVOP-GJZGRUSLSA-N 2 0 396.579 -0.338 20 0 GBADRP NS(=O)(=O)[C@@H]1CCC[NH+](CCCCC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000364923268 530153629 /nfs/dbraw/zinc/15/36/29/530153629.db2.gz KXNYTHHAACKVOP-HUUCEWRRSA-N 2 0 396.579 -0.338 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407493 1073245819 /nfs/dbraw/zinc/24/58/19/1073245819.db2.gz GEQPAICVXRGCHO-FGTMMUONSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407494 1073245962 /nfs/dbraw/zinc/24/59/62/1073245962.db2.gz GEQPAICVXRGCHO-KZNAEPCWSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407495 1073245913 /nfs/dbraw/zinc/24/59/13/1073245913.db2.gz GEQPAICVXRGCHO-OKZBNKHCSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000367407496 1073245991 /nfs/dbraw/zinc/24/59/91/1073245991.db2.gz GEQPAICVXRGCHO-RCCFBDPRSA-N 2 0 377.533 -0.175 20 0 GBADRP CNS(=O)(=O)[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151792 530314565 /nfs/dbraw/zinc/31/45/65/530314565.db2.gz ZKYIXDJZVQXAJH-KBPBESRZSA-N 2 0 382.552 -0.986 20 0 GBADRP CNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372151793 530314665 /nfs/dbraw/zinc/31/46/65/530314665.db2.gz ZKYIXDJZVQXAJH-OKILXGFUSA-N 2 0 382.552 -0.986 20 0 GBADRP CNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372151794 530314609 /nfs/dbraw/zinc/31/46/09/530314609.db2.gz ZKYIXDJZVQXAJH-ZIAGYGMSSA-N 2 0 382.552 -0.986 20 0 GBADRP CNS(=O)(=O)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000372462945 530315193 /nfs/dbraw/zinc/31/51/93/530315193.db2.gz JFRVYHGAIJJEHL-UHFFFAOYSA-N 2 0 375.539 -0.215 20 0 GBADRP COc1cnc(N2CCC[NH+](CCO)CC2)nc1N1CCC[N@H+](CCO)CC1 ZINC000376223251 1072924268 /nfs/dbraw/zinc/92/42/68/1072924268.db2.gz VUWYEDULHPURCT-UHFFFAOYSA-N 2 0 394.520 -0.506 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599736 1073052914 /nfs/dbraw/zinc/05/29/14/1073052914.db2.gz LDUZWASBWXLFJV-GOSISDBHSA-N 2 0 396.580 -0.282 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1(C)C ZINC000376599737 1073053091 /nfs/dbraw/zinc/05/30/91/1073053091.db2.gz LDUZWASBWXLFJV-SFHVURJKSA-N 2 0 396.580 -0.282 20 0 GBADRP CNS(=O)(=O)C1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000376754465 1073114696 /nfs/dbraw/zinc/11/46/96/1073114696.db2.gz RYNHSWVCCCXMPB-HNNXBMFYSA-N 2 0 390.550 -0.527 20 0 GBADRP CNS(=O)(=O)C1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000376754466 1073114950 /nfs/dbraw/zinc/11/49/50/1073114950.db2.gz RYNHSWVCCCXMPB-OAHLLOKOSA-N 2 0 390.550 -0.527 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835297 1073119014 /nfs/dbraw/zinc/11/90/14/1073119014.db2.gz CEXUUQHPDYCHHG-DLBZAZTESA-N 2 0 384.521 -0.280 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835299 1073119233 /nfs/dbraw/zinc/11/92/33/1073119233.db2.gz CEXUUQHPDYCHHG-IAGOWNOFSA-N 2 0 384.521 -0.280 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835300 1073119090 /nfs/dbraw/zinc/11/90/90/1073119090.db2.gz CEXUUQHPDYCHHG-IRXDYDNUSA-N 2 0 384.521 -0.280 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)C1 ZINC000376835302 1073119072 /nfs/dbraw/zinc/11/90/72/1073119072.db2.gz CEXUUQHPDYCHHG-SJORKVTESA-N 2 0 384.521 -0.280 20 0 GBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000377645719 1073203395 /nfs/dbraw/zinc/20/33/95/1073203395.db2.gz JQBMIBDJVYJFKJ-GDBMZVCRSA-N 2 0 379.505 -0.663 20 0 GBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000377645727 1073203547 /nfs/dbraw/zinc/20/35/47/1073203547.db2.gz JQBMIBDJVYJFKJ-GOEBONIOSA-N 2 0 379.505 -0.663 20 0 GBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000377645731 1073203514 /nfs/dbraw/zinc/20/35/14/1073203514.db2.gz JQBMIBDJVYJFKJ-HOCLYGCPSA-N 2 0 379.505 -0.663 20 0 GBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000377645735 1073203780 /nfs/dbraw/zinc/20/37/80/1073203780.db2.gz JQBMIBDJVYJFKJ-ZBFHGGJFSA-N 2 0 379.505 -0.663 20 0 GBADRP CN1CCC(CNC(=O)NCCNS(C)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000377907866 530325056 /nfs/dbraw/zinc/32/50/56/530325056.db2.gz OXXRFPZMFFHOFP-UHFFFAOYSA-N 2 0 375.539 -0.215 20 0 GBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000378133325 1073242178 /nfs/dbraw/zinc/24/21/78/1073242178.db2.gz JYSZZJCUNZKHAX-KRWDZBQOSA-N 2 0 383.537 -0.509 20 0 GBADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000378133326 1073242254 /nfs/dbraw/zinc/24/22/54/1073242254.db2.gz JYSZZJCUNZKHAX-QGZVFWFLSA-N 2 0 383.537 -0.509 20 0 GBADRP CN(CCCNC(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)S(C)(=O)=O ZINC000378247378 1073252032 /nfs/dbraw/zinc/25/20/32/1073252032.db2.gz LCUKAZLRNPOYKR-BZUAXINKSA-N 2 0 390.550 -0.432 20 0 GBADRP CN(CCCNC(=O)CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)S(C)(=O)=O ZINC000378247385 1073252247 /nfs/dbraw/zinc/25/22/47/1073252247.db2.gz LCUKAZLRNPOYKR-OAGGEKHMSA-N 2 0 390.550 -0.432 20 0 GBADRP CN(CCCNC(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)S(C)(=O)=O ZINC000378247387 1073252279 /nfs/dbraw/zinc/25/22/79/1073252279.db2.gz LCUKAZLRNPOYKR-OWCLPIDISA-N 2 0 390.550 -0.432 20 0 GBADRP CN(CCCNC(=O)CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21)S(C)(=O)=O ZINC000378247389 1073252083 /nfs/dbraw/zinc/25/20/83/1073252083.db2.gz LCUKAZLRNPOYKR-PMPSAXMXSA-N 2 0 390.550 -0.432 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000378269323 1073253915 /nfs/dbraw/zinc/25/39/15/1073253915.db2.gz PNEBYKYUXDCBLV-INIZCTEOSA-N 2 0 376.505 0.574 20 0 GBADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390939645 1073646651 /nfs/dbraw/zinc/64/66/51/1073646651.db2.gz PTRQOFRESZSPRO-KRWDZBQOSA-N 2 0 382.530 -0.318 20 0 GBADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390939652 1073646442 /nfs/dbraw/zinc/64/64/42/1073646442.db2.gz PTRQOFRESZSPRO-QGZVFWFLSA-N 2 0 382.530 -0.318 20 0 GBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391034898 1072957853 /nfs/dbraw/zinc/95/78/53/1072957853.db2.gz YNDHTNYBAGQDHZ-GOSISDBHSA-N 2 0 382.530 -0.288 20 0 GBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391034904 1073661091 /nfs/dbraw/zinc/66/10/91/1073661091.db2.gz YNDHTNYBAGQDHZ-SFHVURJKSA-N 2 0 382.530 -0.288 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000410729201 1073830150 /nfs/dbraw/zinc/83/01/50/1073830150.db2.gz HNWSMFRSMDUJMM-SJORKVTESA-N 2 0 393.532 -0.306 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000410729850 1073831455 /nfs/dbraw/zinc/83/14/55/1073831455.db2.gz KQHRVMWRUKCLAL-SOLBZPMBSA-N 2 0 377.533 -0.224 20 0 GBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000410805398 1073837844 /nfs/dbraw/zinc/83/78/44/1073837844.db2.gz ANTMCUAQMOUKIO-MRXNPFEDSA-N 2 0 381.521 -0.448 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000410880471 1073847528 /nfs/dbraw/zinc/84/75/28/1073847528.db2.gz WWYVTUBQMRLKAH-MRXNPFEDSA-N 2 0 379.505 -0.696 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000410886959 1073849042 /nfs/dbraw/zinc/84/90/42/1073849042.db2.gz PFHGUUWIJDYLLK-INIZCTEOSA-N 2 0 381.521 -0.450 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000410886963 1073849088 /nfs/dbraw/zinc/84/90/88/1073849088.db2.gz PFHGUUWIJDYLLK-MRXNPFEDSA-N 2 0 381.521 -0.450 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000410887526 1073849218 /nfs/dbraw/zinc/84/92/18/1073849218.db2.gz REEBBVIADZTZDO-UHFFFAOYSA-N 2 0 381.521 -0.448 20 0 GBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000410913815 1073851432 /nfs/dbraw/zinc/85/14/32/1073851432.db2.gz YHFCNOZSFODGOQ-QGZVFWFLSA-N 2 0 395.548 -0.058 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410977965 1073860155 /nfs/dbraw/zinc/86/01/55/1073860155.db2.gz LCEDDKYPGVAODJ-DLBZAZTESA-N 2 0 393.532 -0.448 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410977966 1073859875 /nfs/dbraw/zinc/85/98/75/1073859875.db2.gz LCEDDKYPGVAODJ-IAGOWNOFSA-N 2 0 393.532 -0.448 20 0 GBADRP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)(N2CCOCC2)CC1 ZINC000413607893 1072789557 /nfs/dbraw/zinc/78/95/57/1072789557.db2.gz AKQLHOBIVOFHHI-GOSISDBHSA-N 2 0 397.564 -0.071 20 0 GBADRP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)(N2CCOCC2)CC1 ZINC000413607899 1072789250 /nfs/dbraw/zinc/78/92/50/1072789250.db2.gz AKQLHOBIVOFHHI-SFHVURJKSA-N 2 0 397.564 -0.071 20 0 GBADRP CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000413625402 1072797541 /nfs/dbraw/zinc/79/75/41/1072797541.db2.gz ZHJFFIUQBQBHTN-BZUAXINKSA-N 2 0 383.537 -0.206 20 0 GBADRP CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000413625403 1072798040 /nfs/dbraw/zinc/79/80/40/1072798040.db2.gz ZHJFFIUQBQBHTN-OAGGEKHMSA-N 2 0 383.537 -0.206 20 0 GBADRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000413625404 1072797966 /nfs/dbraw/zinc/79/79/66/1072797966.db2.gz ZHJFFIUQBQBHTN-OWCLPIDISA-N 2 0 383.537 -0.206 20 0 GBADRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H](C(=O)N(C)C)C1)[NH+](C)C ZINC000413625405 1072797697 /nfs/dbraw/zinc/79/76/97/1072797697.db2.gz ZHJFFIUQBQBHTN-PMPSAXMXSA-N 2 0 383.537 -0.206 20 0 GBADRP C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)(N2CCOCC2)CC1 ZINC000413631804 1072798055 /nfs/dbraw/zinc/79/80/55/1072798055.db2.gz YJVJFKUXHVETFN-GOSISDBHSA-N 2 0 397.564 -0.071 20 0 GBADRP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)(N2CCOCC2)CC1 ZINC000413631805 1072798109 /nfs/dbraw/zinc/79/81/09/1072798109.db2.gz YJVJFKUXHVETFN-SFHVURJKSA-N 2 0 397.564 -0.071 20 0 GBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC000413880427 1072858193 /nfs/dbraw/zinc/85/81/93/1072858193.db2.gz NYFNORBHBVEMJW-KRWDZBQOSA-N 2 0 395.548 -0.691 20 0 GBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1=O ZINC000413880431 1072858235 /nfs/dbraw/zinc/85/82/35/1072858235.db2.gz NYFNORBHBVEMJW-QGZVFWFLSA-N 2 0 395.548 -0.691 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920639 1072873982 /nfs/dbraw/zinc/87/39/82/1072873982.db2.gz NNROLBNEBOINKA-BRWVUGGUSA-N 2 0 394.516 -0.118 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H](C(=O)OC)C2)CC1=O ZINC000413920640 1072874457 /nfs/dbraw/zinc/87/44/57/1072874457.db2.gz NNROLBNEBOINKA-GVDBMIGSSA-N 2 0 394.516 -0.118 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920641 1072874065 /nfs/dbraw/zinc/87/40/65/1072874065.db2.gz NNROLBNEBOINKA-IXDOHACOSA-N 2 0 394.516 -0.118 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C)C[C@H](C(=O)OC)C2)CC1=O ZINC000413920642 1072874669 /nfs/dbraw/zinc/87/46/69/1072874669.db2.gz NNROLBNEBOINKA-YESZJQIVSA-N 2 0 394.516 -0.118 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414808070 1072609394 /nfs/dbraw/zinc/60/93/94/1072609394.db2.gz SHAOGPBFCXGDLX-UHFFFAOYSA-N 2 0 385.468 -0.005 20 0 GBADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414876147 1072725500 /nfs/dbraw/zinc/72/55/00/1072725500.db2.gz KBUGFUHFGWLIJX-UHFFFAOYSA-N 2 0 377.489 -0.023 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414977235 1072926960 /nfs/dbraw/zinc/92/69/60/1072926960.db2.gz PQYHUNPCOYAWCV-KRWDZBQOSA-N 2 0 385.468 -0.007 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414977236 1072927430 /nfs/dbraw/zinc/92/74/30/1072927430.db2.gz PQYHUNPCOYAWCV-QGZVFWFLSA-N 2 0 385.468 -0.007 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000415025858 1073011119 /nfs/dbraw/zinc/01/11/19/1073011119.db2.gz RWGIXYRXRFJVIE-UHFFFAOYSA-N 2 0 377.489 -0.071 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000415206504 1073152698 /nfs/dbraw/zinc/15/26/98/1073152698.db2.gz BPNBHMDZEHKKNX-LBPRGKRZSA-N 2 0 377.415 0.402 20 0 GBADRP Cc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c(OCC[NH+](C)C)c1 ZINC000415321236 1073185774 /nfs/dbraw/zinc/18/57/74/1073185774.db2.gz COKCBGNXQYHTFY-UHFFFAOYSA-N 2 0 377.489 -0.105 20 0 GBADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000415325264 1073184769 /nfs/dbraw/zinc/18/47/69/1073184769.db2.gz GTSMNSJGQXEHDN-UHFFFAOYSA-N 2 0 375.473 -0.115 20 0 GBADRP Cc1cc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000415327597 1073185795 /nfs/dbraw/zinc/18/57/95/1073185795.db2.gz LDBFZPNCVWJUQK-UHFFFAOYSA-N 2 0 377.489 -0.105 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC000415329160 1073187281 /nfs/dbraw/zinc/18/72/81/1073187281.db2.gz NDWLDOOZOPAIGD-UHFFFAOYSA-N 2 0 388.516 -0.212 20 0 GBADRP Cc1cc(NC(=O)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1C[NH+](C)C ZINC000415338289 1073193502 /nfs/dbraw/zinc/19/35/02/1073193502.db2.gz XJQADAKFBMNBBG-UHFFFAOYSA-N 2 0 375.473 -0.115 20 0 GBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415349473 1073194014 /nfs/dbraw/zinc/19/40/14/1073194014.db2.gz XMOHBUQVXXOHKC-GFCCVEGCSA-N 2 0 375.429 -0.085 20 0 GBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415349476 1073195145 /nfs/dbraw/zinc/19/51/45/1073195145.db2.gz XMOHBUQVXXOHKC-LBPRGKRZSA-N 2 0 375.429 -0.085 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC000415443857 1073200083 /nfs/dbraw/zinc/20/00/83/1073200083.db2.gz UUZSECADQZBLKA-GFCCVEGCSA-N 2 0 375.429 -0.085 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC000415443860 1073200141 /nfs/dbraw/zinc/20/01/41/1073200141.db2.gz UUZSECADQZBLKA-LBPRGKRZSA-N 2 0 375.429 -0.085 20 0 GBADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000415592220 1073208329 /nfs/dbraw/zinc/20/83/29/1073208329.db2.gz BNNPENLNMGHEAC-GOSISDBHSA-N 2 0 389.500 -0.051 20 0 GBADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000415592222 1073208303 /nfs/dbraw/zinc/20/83/03/1073208303.db2.gz BNNPENLNMGHEAC-SFHVURJKSA-N 2 0 389.500 -0.051 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415606131 1073211522 /nfs/dbraw/zinc/21/15/22/1073211522.db2.gz PMULHKZAXOVUAD-KRWDZBQOSA-N 2 0 375.473 -0.047 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415606134 1073211431 /nfs/dbraw/zinc/21/14/31/1073211431.db2.gz PMULHKZAXOVUAD-QGZVFWFLSA-N 2 0 375.473 -0.047 20 0 GBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415610368 1073213102 /nfs/dbraw/zinc/21/31/02/1073213102.db2.gz VPMPRTRNONBXLM-KRWDZBQOSA-N 2 0 375.473 -0.441 20 0 GBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415610371 1073212701 /nfs/dbraw/zinc/21/27/01/1073212701.db2.gz VPMPRTRNONBXLM-QGZVFWFLSA-N 2 0 375.473 -0.441 20 0 GBADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000415841274 1073225825 /nfs/dbraw/zinc/22/58/25/1073225825.db2.gz GSAIUXSLJPDZAR-GOSISDBHSA-N 2 0 389.500 -0.133 20 0 GBADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000415841275 1073225917 /nfs/dbraw/zinc/22/59/17/1073225917.db2.gz GSAIUXSLJPDZAR-SFHVURJKSA-N 2 0 389.500 -0.133 20 0 GBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cc1F ZINC000415893013 1073231168 /nfs/dbraw/zinc/23/11/68/1073231168.db2.gz MKESRKWQLUYAHP-UHFFFAOYSA-N 2 0 380.420 -0.095 20 0 GBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)c2)CC1 ZINC000415896264 1073230883 /nfs/dbraw/zinc/23/08/83/1073230883.db2.gz QOIBKKHNIZLLFU-UHFFFAOYSA-N 2 0 387.484 -0.427 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)c2)CC1 ZINC000415896873 1073231528 /nfs/dbraw/zinc/23/15/28/1073231528.db2.gz RHVOFATYRARNSW-UHFFFAOYSA-N 2 0 387.484 -0.032 20 0 GBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCCCN3CC[NH2+]CC3)cn2)CC1 ZINC000416938578 1073291893 /nfs/dbraw/zinc/29/18/93/1073291893.db2.gz BGESCPWVHPZZCS-UHFFFAOYSA-N 2 0 375.521 -0.072 20 0 GBADRP C[NH+]1CCN(c2cc(CNC(=O)NCCCN3CC[NH2+]CC3)ccn2)CC1 ZINC000416995375 1073294435 /nfs/dbraw/zinc/29/44/35/1073294435.db2.gz VJYSLGCKHDDRNF-UHFFFAOYSA-N 2 0 375.521 -0.072 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CC[NH2+]CC3)cn2)CC1 ZINC000417000169 1073294078 /nfs/dbraw/zinc/29/40/78/1073294078.db2.gz YGKKHBJJZYSAMF-UHFFFAOYSA-N 2 0 375.521 -0.072 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417321738 1073304036 /nfs/dbraw/zinc/30/40/36/1073304036.db2.gz MBQBJJITRRQGFQ-UHFFFAOYSA-N 2 0 375.521 -0.072 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417369068 1073305861 /nfs/dbraw/zinc/30/58/61/1073305861.db2.gz PMQUZZVTVPFXTN-UHFFFAOYSA-N 3 0 375.521 -0.202 20 0 GBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417394671 1073160415 /nfs/dbraw/zinc/16/04/15/1073160415.db2.gz VRVUKDZWGHECBL-GOSISDBHSA-N 3 0 375.521 -0.204 20 0 GBADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417394672 1073160607 /nfs/dbraw/zinc/16/06/07/1073160607.db2.gz VRVUKDZWGHECBL-SFHVURJKSA-N 3 0 375.521 -0.204 20 0 GBADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000417802969 1073316547 /nfs/dbraw/zinc/31/65/47/1073316547.db2.gz XIZABBLJQYHZOC-INIZCTEOSA-N 2 0 399.561 -0.120 20 0 GBADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000417802970 1073316425 /nfs/dbraw/zinc/31/64/25/1073316425.db2.gz XIZABBLJQYHZOC-MRXNPFEDSA-N 2 0 399.561 -0.120 20 0 GBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418298509 1073330345 /nfs/dbraw/zinc/33/03/45/1073330345.db2.gz MDRNUTCEOWWSMU-SFHVURJKSA-N 2 0 390.532 -0.520 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418616678 1073701944 /nfs/dbraw/zinc/70/19/44/1073701944.db2.gz MUFKVRDLGOMEPA-KBPBESRZSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCC[N@H+]1CCO ZINC000418616682 1073701816 /nfs/dbraw/zinc/70/18/16/1073701816.db2.gz MUFKVRDLGOMEPA-KGLIPLIRSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418616684 1073702308 /nfs/dbraw/zinc/70/23/08/1073702308.db2.gz MUFKVRDLGOMEPA-UONOGXRCSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCCC[N@H+]1CCO ZINC000418616686 1073701729 /nfs/dbraw/zinc/70/17/29/1073701729.db2.gz MUFKVRDLGOMEPA-ZIAGYGMSSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418619665 1073702121 /nfs/dbraw/zinc/70/21/21/1073702121.db2.gz PSDKLGCDEUYCFH-KBPBESRZSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCC[N@H+]1CCCO ZINC000418619666 1073702228 /nfs/dbraw/zinc/70/22/28/1073702228.db2.gz PSDKLGCDEUYCFH-KGLIPLIRSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000418619667 1073702438 /nfs/dbraw/zinc/70/24/38/1073702438.db2.gz PSDKLGCDEUYCFH-UONOGXRCSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CCC[N@H+]1CCCO ZINC000418619668 1073701836 /nfs/dbraw/zinc/70/18/36/1073701836.db2.gz PSDKLGCDEUYCFH-ZIAGYGMSSA-N 2 0 381.443 -0.032 20 0 GBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621727 1073703032 /nfs/dbraw/zinc/70/30/32/1073703032.db2.gz UGQYFVHEBRVOGB-CHWSQXEVSA-N 2 0 394.442 -0.539 20 0 GBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621728 1073702982 /nfs/dbraw/zinc/70/29/82/1073702982.db2.gz UGQYFVHEBRVOGB-OLZOCXBDSA-N 2 0 394.442 -0.539 20 0 GBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621729 1073703231 /nfs/dbraw/zinc/70/32/31/1073703231.db2.gz UGQYFVHEBRVOGB-QWHCGFSZSA-N 2 0 394.442 -0.539 20 0 GBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621730 1073703394 /nfs/dbraw/zinc/70/33/94/1073703394.db2.gz UGQYFVHEBRVOGB-STQMWFEESA-N 2 0 394.442 -0.539 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418624803 1073702784 /nfs/dbraw/zinc/70/27/84/1073702784.db2.gz ZRFMHMIXQQBERT-KBPBESRZSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418624804 1073703362 /nfs/dbraw/zinc/70/33/62/1073703362.db2.gz ZRFMHMIXQQBERT-KGLIPLIRSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000418624805 1073703117 /nfs/dbraw/zinc/70/31/17/1073703117.db2.gz ZRFMHMIXQQBERT-UONOGXRCSA-N 2 0 381.443 -0.032 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418624806 1073703339 /nfs/dbraw/zinc/70/33/39/1073703339.db2.gz ZRFMHMIXQQBERT-ZIAGYGMSSA-N 2 0 381.443 -0.032 20 0 GBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418767530 1073714631 /nfs/dbraw/zinc/71/46/31/1073714631.db2.gz NVZJHHCNKWCMEI-IRXDYDNUSA-N 2 0 377.489 -0.437 20 0 GBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418767531 1073715027 /nfs/dbraw/zinc/71/50/27/1073715027.db2.gz NVZJHHCNKWCMEI-SJORKVTESA-N 2 0 377.489 -0.437 20 0 GBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418767707 1073714290 /nfs/dbraw/zinc/71/42/90/1073714290.db2.gz QZHDXPDNVFPXNX-MSOLQXFVSA-N 2 0 390.532 -0.522 20 0 GBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418767714 1073714403 /nfs/dbraw/zinc/71/44/03/1073714403.db2.gz QZHDXPDNVFPXNX-ROUUACIJSA-N 2 0 390.532 -0.522 20 0 GBADRP CN1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000418793862 1073719086 /nfs/dbraw/zinc/71/90/86/1073719086.db2.gz ATYHSDGXWBTGHX-INIZCTEOSA-N 2 0 387.484 -0.557 20 0 GBADRP CN1C[C@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000418793863 1073718426 /nfs/dbraw/zinc/71/84/26/1073718426.db2.gz ATYHSDGXWBTGHX-MRXNPFEDSA-N 2 0 387.484 -0.557 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000418797745 1073719170 /nfs/dbraw/zinc/71/91/70/1073719170.db2.gz GSOFWQOJONPSDV-INIZCTEOSA-N 2 0 382.505 -0.429 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000418797746 1073719116 /nfs/dbraw/zinc/71/91/16/1073719116.db2.gz GSOFWQOJONPSDV-MRXNPFEDSA-N 2 0 382.505 -0.429 20 0 GBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418801008 1073718593 /nfs/dbraw/zinc/71/85/93/1073718593.db2.gz XDFKSOPGIGBGBZ-MSOLQXFVSA-N 2 0 391.516 -0.047 20 0 GBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418801010 1073719068 /nfs/dbraw/zinc/71/90/68/1073719068.db2.gz XDFKSOPGIGBGBZ-ROUUACIJSA-N 2 0 391.516 -0.047 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805958 1073720130 /nfs/dbraw/zinc/72/01/30/1073720130.db2.gz NWULAORBIMSUGK-INIZCTEOSA-N 2 0 382.505 -0.510 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805959 1073719679 /nfs/dbraw/zinc/71/96/79/1073719679.db2.gz NWULAORBIMSUGK-MRXNPFEDSA-N 2 0 382.505 -0.510 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000418807653 1073719754 /nfs/dbraw/zinc/71/97/54/1073719754.db2.gz PYLLXVKJPKYYMY-KRWDZBQOSA-N 2 0 396.532 -0.039 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCO1 ZINC000418807656 1073719512 /nfs/dbraw/zinc/71/95/12/1073719512.db2.gz PYLLXVKJPKYYMY-QGZVFWFLSA-N 2 0 396.532 -0.039 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418809992 1073721841 /nfs/dbraw/zinc/72/18/41/1073721841.db2.gz TZUDBDNBMXNJMQ-UHFFFAOYSA-N 2 0 395.548 -0.593 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418813143 1073720676 /nfs/dbraw/zinc/72/06/76/1073720676.db2.gz XYVMACUTKVJHPP-KRWDZBQOSA-N 2 0 396.532 -0.120 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418813149 1073720947 /nfs/dbraw/zinc/72/09/47/1073720947.db2.gz XYVMACUTKVJHPP-QGZVFWFLSA-N 2 0 396.532 -0.120 20 0 GBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000418823356 1073722768 /nfs/dbraw/zinc/72/27/68/1073722768.db2.gz NOXFFWFJDAMDEV-HNNXBMFYSA-N 2 0 381.521 -0.462 20 0 GBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC1 ZINC000418823358 1073722996 /nfs/dbraw/zinc/72/29/96/1073722996.db2.gz NOXFFWFJDAMDEV-OAHLLOKOSA-N 2 0 381.521 -0.462 20 0 GBADRP COc1ccccc1[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCC1 ZINC000418826558 1073723850 /nfs/dbraw/zinc/72/38/50/1073723850.db2.gz BIGTZCSBVFABTB-INIZCTEOSA-N 2 0 378.473 -0.272 20 0 GBADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCC1 ZINC000418826561 1073723511 /nfs/dbraw/zinc/72/35/11/1073723511.db2.gz BIGTZCSBVFABTB-MRXNPFEDSA-N 2 0 378.473 -0.272 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000418832232 1073724220 /nfs/dbraw/zinc/72/42/20/1073724220.db2.gz MBCJCNXNTOMBBH-HNNXBMFYSA-N 2 0 381.521 -0.177 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000418832233 1073724558 /nfs/dbraw/zinc/72/45/58/1073724558.db2.gz MBCJCNXNTOMBBH-OAHLLOKOSA-N 2 0 381.521 -0.177 20 0 GBADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418832771 1073724298 /nfs/dbraw/zinc/72/42/98/1073724298.db2.gz MIQOCMPZFZWION-CABCVRRESA-N 2 0 394.472 -0.391 20 0 GBADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418832785 1073724686 /nfs/dbraw/zinc/72/46/86/1073724686.db2.gz MIQOCMPZFZWION-GJZGRUSLSA-N 2 0 394.472 -0.391 20 0 GBADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418832787 1073724673 /nfs/dbraw/zinc/72/46/73/1073724673.db2.gz MIQOCMPZFZWION-HUUCEWRRSA-N 2 0 394.472 -0.391 20 0 GBADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418832789 1073725553 /nfs/dbraw/zinc/72/55/53/1073725553.db2.gz MIQOCMPZFZWION-LSDHHAIUSA-N 2 0 394.472 -0.391 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000418833373 1073725194 /nfs/dbraw/zinc/72/51/94/1073725194.db2.gz NGHVGJDMAYHCCF-CYBMUJFWSA-N 2 0 393.454 -0.071 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000418833374 1073725508 /nfs/dbraw/zinc/72/55/08/1073725508.db2.gz NGHVGJDMAYHCCF-ZDUSSCGKSA-N 2 0 393.454 -0.071 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837002 1073725440 /nfs/dbraw/zinc/72/54/40/1073725440.db2.gz SHLQCLDMNODWND-KBPBESRZSA-N 2 0 395.529 -0.220 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837003 1073944116 /nfs/dbraw/zinc/94/41/16/1073944116.db2.gz SHLQCLDMNODWND-KGLIPLIRSA-N 2 0 395.529 -0.220 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837006 1073944132 /nfs/dbraw/zinc/94/41/32/1073944132.db2.gz SHLQCLDMNODWND-UONOGXRCSA-N 2 0 395.529 -0.220 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccs1 ZINC000418837008 1073943871 /nfs/dbraw/zinc/94/38/71/1073943871.db2.gz SHLQCLDMNODWND-ZIAGYGMSSA-N 2 0 395.529 -0.220 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418837273 1073725280 /nfs/dbraw/zinc/72/52/80/1073725280.db2.gz ADCWZTIHVSLCTL-MOPGFXCFSA-N 2 0 385.512 -0.259 20 0 GBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837595 1073726556 /nfs/dbraw/zinc/72/65/56/1073726556.db2.gz AWNLJPFNLULONI-KRWDZBQOSA-N 2 0 375.517 -0.108 20 0 GBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837596 1073726284 /nfs/dbraw/zinc/72/62/84/1073726284.db2.gz AWNLJPFNLULONI-QGZVFWFLSA-N 2 0 375.517 -0.108 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)c1 ZINC000418837644 1073725233 /nfs/dbraw/zinc/72/52/33/1073725233.db2.gz BAGUITPZOXAUBY-DLBZAZTESA-N 2 0 378.473 -0.091 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)c1 ZINC000418837647 1073725510 /nfs/dbraw/zinc/72/55/10/1073725510.db2.gz BAGUITPZOXAUBY-IAGOWNOFSA-N 2 0 378.473 -0.091 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)c1 ZINC000418837649 1073725113 /nfs/dbraw/zinc/72/51/13/1073725113.db2.gz BAGUITPZOXAUBY-IRXDYDNUSA-N 2 0 378.473 -0.091 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)c1 ZINC000418837651 1073725328 /nfs/dbraw/zinc/72/53/28/1073725328.db2.gz BAGUITPZOXAUBY-SJORKVTESA-N 2 0 378.473 -0.091 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418837905 1073725069 /nfs/dbraw/zinc/72/50/69/1073725069.db2.gz BMOOKCSPCKZJSJ-KDURUIRLSA-N 2 0 385.512 -0.402 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418839185 1073726406 /nfs/dbraw/zinc/72/64/06/1073726406.db2.gz DECDMFMDMDOGJT-UHFFFAOYSA-N 2 0 385.512 -0.044 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000418841415 1073726069 /nfs/dbraw/zinc/72/60/69/1073726069.db2.gz GJZCDALGUNXJHM-GOSISDBHSA-N 2 0 389.500 -0.894 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000418841424 1073726389 /nfs/dbraw/zinc/72/63/89/1073726389.db2.gz GJZCDALGUNXJHM-SFHVURJKSA-N 2 0 389.500 -0.894 20 0 GBADRP CCc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000418841535 1073727393 /nfs/dbraw/zinc/72/73/93/1073727393.db2.gz GRGWGAGZUFYARG-GOSISDBHSA-N 2 0 375.517 -0.011 20 0 GBADRP CCc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000418841539 1073727585 /nfs/dbraw/zinc/72/75/85/1073727585.db2.gz GRGWGAGZUFYARG-SFHVURJKSA-N 2 0 375.517 -0.011 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418841566 1073726375 /nfs/dbraw/zinc/72/63/75/1073726375.db2.gz GSOQUTCPCQEGLT-DLBZAZTESA-N 2 0 378.473 -0.010 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418841568 1073726186 /nfs/dbraw/zinc/72/61/86/1073726186.db2.gz GSOQUTCPCQEGLT-IAGOWNOFSA-N 2 0 378.473 -0.010 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418841570 1073726582 /nfs/dbraw/zinc/72/65/82/1073726582.db2.gz GSOQUTCPCQEGLT-IRXDYDNUSA-N 2 0 378.473 -0.010 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418841573 1073726464 /nfs/dbraw/zinc/72/64/64/1073726464.db2.gz GSOQUTCPCQEGLT-SJORKVTESA-N 2 0 378.473 -0.010 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000418846223 1073727199 /nfs/dbraw/zinc/72/71/99/1073727199.db2.gz XOOBFLQTOJGSOH-INIZCTEOSA-N 2 0 393.532 -0.353 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000418846224 1073727353 /nfs/dbraw/zinc/72/73/53/1073727353.db2.gz XOOBFLQTOJGSOH-MRXNPFEDSA-N 2 0 393.532 -0.353 20 0 GBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000418846545 1073727259 /nfs/dbraw/zinc/72/72/59/1073727259.db2.gz YJHCIFWZGAIZCH-HNNXBMFYSA-N 2 0 381.521 -0.319 20 0 GBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000418846546 1073727672 /nfs/dbraw/zinc/72/76/72/1073727672.db2.gz YJHCIFWZGAIZCH-OAHLLOKOSA-N 2 0 381.521 -0.319 20 0 GBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418858270 1073728641 /nfs/dbraw/zinc/72/86/41/1073728641.db2.gz IXERBONWFJUCDM-UHFFFAOYSA-N 2 0 375.517 -0.012 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418859273 1073729544 /nfs/dbraw/zinc/72/95/44/1073729544.db2.gz KNXJYMAPULTWGD-PMACEKPBSA-N 2 0 399.539 -0.012 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418859277 1073729512 /nfs/dbraw/zinc/72/95/12/1073729512.db2.gz KNXJYMAPULTWGD-UXHICEINSA-N 2 0 399.539 -0.012 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418859279 1073729650 /nfs/dbraw/zinc/72/96/50/1073729650.db2.gz KNXJYMAPULTWGD-VQTJNVASSA-N 2 0 399.539 -0.012 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418859281 1073729625 /nfs/dbraw/zinc/72/96/25/1073729625.db2.gz KNXJYMAPULTWGD-WOJBJXKFSA-N 2 0 399.539 -0.012 20 0 GBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418862802 1073729223 /nfs/dbraw/zinc/72/92/23/1073729223.db2.gz ORCFVJDEWPEDOZ-IBGZPJMESA-N 2 0 387.528 -0.012 20 0 GBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418862803 1073729183 /nfs/dbraw/zinc/72/91/83/1073729183.db2.gz ORCFVJDEWPEDOZ-LJQANCHMSA-N 2 0 387.528 -0.012 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418864513 1073728485 /nfs/dbraw/zinc/72/84/85/1073728485.db2.gz QVIZQXFYSRLJHA-GOSISDBHSA-N 2 0 389.500 -0.975 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418864516 1073729235 /nfs/dbraw/zinc/72/92/35/1073729235.db2.gz QVIZQXFYSRLJHA-SFHVURJKSA-N 2 0 389.500 -0.975 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418867546 1073729717 /nfs/dbraw/zinc/72/97/17/1073729717.db2.gz UTSUGNLRQUSSJC-KRWDZBQOSA-N 2 0 377.489 -0.565 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418867547 1073729707 /nfs/dbraw/zinc/72/97/07/1073729707.db2.gz UTSUGNLRQUSSJC-QGZVFWFLSA-N 2 0 377.489 -0.565 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)c1 ZINC000418874212 1073730061 /nfs/dbraw/zinc/73/00/61/1073730061.db2.gz IUGVZCUKMGJCKR-KRWDZBQOSA-N 2 0 378.473 -0.272 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)c1 ZINC000418874213 1073730638 /nfs/dbraw/zinc/73/06/38/1073730638.db2.gz IUGVZCUKMGJCKR-QGZVFWFLSA-N 2 0 378.473 -0.272 20 0 GBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000418907121 1073737686 /nfs/dbraw/zinc/73/76/86/1073737686.db2.gz GJWNRGFFQKZYBU-INIZCTEOSA-N 2 0 393.532 -0.353 20 0 GBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000418907122 1073737392 /nfs/dbraw/zinc/73/73/92/1073737392.db2.gz GJWNRGFFQKZYBU-MRXNPFEDSA-N 2 0 393.532 -0.353 20 0 GBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418912289 1073737521 /nfs/dbraw/zinc/73/75/21/1073737521.db2.gz MNOZMZKGOHTLGO-AWEZNQCLSA-N 2 0 393.454 -0.071 20 0 GBADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418912291 1073737443 /nfs/dbraw/zinc/73/74/43/1073737443.db2.gz MNOZMZKGOHTLGO-CQSZACIVSA-N 2 0 393.454 -0.071 20 0 GBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000418924670 1073739575 /nfs/dbraw/zinc/73/95/75/1073739575.db2.gz PGWSTKDPZDUMLG-GQIGUUNPSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000418924671 1073740286 /nfs/dbraw/zinc/74/02/86/1073740286.db2.gz PGWSTKDPZDUMLG-GUXCAODWSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000418924672 1073740160 /nfs/dbraw/zinc/74/01/60/1073740160.db2.gz PGWSTKDPZDUMLG-JXXFODFXSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)([NH+](C)C)C1 ZINC000418924673 1073740017 /nfs/dbraw/zinc/74/00/17/1073740017.db2.gz PGWSTKDPZDUMLG-QINHECLXSA-N 2 0 395.548 -0.073 20 0 GBADRP 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O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418986319 1073744738 /nfs/dbraw/zinc/74/47/38/1073744738.db2.gz YBZBIBJELPJEGR-MRXNPFEDSA-N 2 0 398.467 -0.379 20 0 GBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986905 1073746515 /nfs/dbraw/zinc/74/65/15/1073746515.db2.gz PGHAFLOEBBEITI-KBPBESRZSA-N 2 0 393.454 -0.213 20 0 GBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986906 1073746241 /nfs/dbraw/zinc/74/62/41/1073746241.db2.gz PGHAFLOEBBEITI-KGLIPLIRSA-N 2 0 393.454 -0.213 20 0 GBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986907 1073746433 /nfs/dbraw/zinc/74/64/33/1073746433.db2.gz PGHAFLOEBBEITI-UONOGXRCSA-N 2 0 393.454 -0.213 20 0 GBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418986908 1073746769 /nfs/dbraw/zinc/74/67/69/1073746769.db2.gz PGHAFLOEBBEITI-ZIAGYGMSSA-N 2 0 393.454 -0.213 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418988016 1073746727 /nfs/dbraw/zinc/74/67/27/1073746727.db2.gz AJGRBRQIBHLSJB-MRXNPFEDSA-N 2 0 381.521 -0.175 20 0 GBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000418998940 1073748999 /nfs/dbraw/zinc/74/89/99/1073748999.db2.gz MTRVOMXJOCLJTG-INIZCTEOSA-N 2 0 381.521 -0.462 20 0 GBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000418998941 1073748747 /nfs/dbraw/zinc/74/87/47/1073748747.db2.gz MTRVOMXJOCLJTG-MRXNPFEDSA-N 2 0 381.521 -0.462 20 0 GBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419003311 1073748419 /nfs/dbraw/zinc/74/84/19/1073748419.db2.gz UDEZLCHJFQKTBT-KRWDZBQOSA-N 2 0 389.500 -0.322 20 0 GBADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000419003313 1073748334 /nfs/dbraw/zinc/74/83/34/1073748334.db2.gz UDEZLCHJFQKTBT-QGZVFWFLSA-N 2 0 389.500 -0.322 20 0 GBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419009732 1073749762 /nfs/dbraw/zinc/74/97/62/1073749762.db2.gz XRENDVCOUARRPT-KRWDZBQOSA-N 2 0 393.532 -0.351 20 0 GBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419009736 1073749834 /nfs/dbraw/zinc/74/98/34/1073749834.db2.gz XRENDVCOUARRPT-QGZVFWFLSA-N 2 0 393.532 -0.351 20 0 GBADRP C[NH+](C)C1(CNc2nc(NCC3([NH+](C)C)CC3)nc(N3CCOCC3)n2)CC1 ZINC000419010250 1073749381 /nfs/dbraw/zinc/74/93/81/1073749381.db2.gz PBOKLTYBVSAPCK-UHFFFAOYSA-N 2 0 390.536 -0.436 20 0 GBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419010996 1073749919 /nfs/dbraw/zinc/74/99/19/1073749919.db2.gz ZPTZHVKYAQITQD-AWEZNQCLSA-N 2 0 393.454 -0.069 20 0 GBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419010997 1073749948 /nfs/dbraw/zinc/74/99/48/1073749948.db2.gz ZPTZHVKYAQITQD-CQSZACIVSA-N 2 0 393.454 -0.069 20 0 GBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419023720 1073753678 /nfs/dbraw/zinc/75/36/78/1073753678.db2.gz DPLSPIKWRPASQA-KSZLIROESA-N 2 0 391.491 -0.169 20 0 GBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000419023725 1073753707 /nfs/dbraw/zinc/75/37/07/1073753707.db2.gz DPLSPIKWRPASQA-KURKYZTESA-N 2 0 391.491 -0.169 20 0 GBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419025162 1073755458 /nfs/dbraw/zinc/75/54/58/1073755458.db2.gz MCRRDXQSVJQZMT-BZUAXINKSA-N 2 0 381.521 -0.464 20 0 GBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419025163 1073755430 /nfs/dbraw/zinc/75/54/30/1073755430.db2.gz MCRRDXQSVJQZMT-OAGGEKHMSA-N 2 0 381.521 -0.464 20 0 GBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419025164 1073754309 /nfs/dbraw/zinc/75/43/09/1073754309.db2.gz MCRRDXQSVJQZMT-OWCLPIDISA-N 2 0 381.521 -0.464 20 0 GBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419025165 1073754882 /nfs/dbraw/zinc/75/48/82/1073754882.db2.gz MCRRDXQSVJQZMT-PMPSAXMXSA-N 2 0 381.521 -0.464 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419028264 1073755393 /nfs/dbraw/zinc/75/53/93/1073755393.db2.gz DOOJHZKEAWOFCU-UHFFFAOYSA-N 2 0 397.589 -0.124 20 0 GBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419033630 1073757228 /nfs/dbraw/zinc/75/72/28/1073757228.db2.gz YHGCWQIPJCXOEE-TWMKSMIVSA-N 2 0 395.548 -0.218 20 0 GBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419033631 1073757520 /nfs/dbraw/zinc/75/75/20/1073757520.db2.gz YHGCWQIPJCXOEE-VVLHAWIVSA-N 2 0 395.548 -0.218 20 0 GBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419033632 1073757250 /nfs/dbraw/zinc/75/72/50/1073757250.db2.gz YHGCWQIPJCXOEE-YVSFHVDLSA-N 2 0 395.548 -0.218 20 0 GBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419033633 1073757438 /nfs/dbraw/zinc/75/74/38/1073757438.db2.gz YHGCWQIPJCXOEE-YYIAUSFCSA-N 2 0 395.548 -0.218 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419038889 1073758911 /nfs/dbraw/zinc/75/89/11/1073758911.db2.gz UIAHIAOEGIZMPS-HNNXBMFYSA-N 2 0 384.546 -0.041 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419038890 1073758847 /nfs/dbraw/zinc/75/88/47/1073758847.db2.gz UIAHIAOEGIZMPS-OAHLLOKOSA-N 2 0 384.546 -0.041 20 0 GBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044544 1073761360 /nfs/dbraw/zinc/76/13/60/1073761360.db2.gz LTAWAXZSPRMMJR-CVEARBPZSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044545 1073761277 /nfs/dbraw/zinc/76/12/77/1073761277.db2.gz LTAWAXZSPRMMJR-HOTGVXAUSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044546 1073760919 /nfs/dbraw/zinc/76/09/19/1073760919.db2.gz LTAWAXZSPRMMJR-HZPDHXFCSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419044547 1073760852 /nfs/dbraw/zinc/76/08/52/1073760852.db2.gz LTAWAXZSPRMMJR-JKSUJKDBSA-N 2 0 395.548 -0.073 20 0 GBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419045442 1073761042 /nfs/dbraw/zinc/76/10/42/1073761042.db2.gz NZLQUYIQIPQUJA-ITNKIWFMSA-N 2 0 377.533 -0.382 20 0 GBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419045443 1073761144 /nfs/dbraw/zinc/76/11/44/1073761144.db2.gz NZLQUYIQIPQUJA-XQYHGENGSA-N 2 0 377.533 -0.382 20 0 GBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419048816 1073762484 /nfs/dbraw/zinc/76/24/84/1073762484.db2.gz AVIUTHKBFIIREF-INIZCTEOSA-N 2 0 383.537 -0.467 20 0 GBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419048817 1073762703 /nfs/dbraw/zinc/76/27/03/1073762703.db2.gz AVIUTHKBFIIREF-MRXNPFEDSA-N 2 0 383.537 -0.467 20 0 GBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419052036 1073765297 /nfs/dbraw/zinc/76/52/97/1073765297.db2.gz HAYJIBUOLQXERN-KRWDZBQOSA-N 2 0 395.548 -0.500 20 0 GBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419052038 1073765389 /nfs/dbraw/zinc/76/53/89/1073765389.db2.gz HAYJIBUOLQXERN-QGZVFWFLSA-N 2 0 395.548 -0.500 20 0 GBADRP C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000419053901 1073764308 /nfs/dbraw/zinc/76/43/08/1073764308.db2.gz KUERGJGTNSBNOH-DLBZAZTESA-N 2 0 395.548 -0.515 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000419053902 1073765406 /nfs/dbraw/zinc/76/54/06/1073765406.db2.gz KUERGJGTNSBNOH-IAGOWNOFSA-N 2 0 395.548 -0.515 20 0 GBADRP C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000419053904 1073765177 /nfs/dbraw/zinc/76/51/77/1073765177.db2.gz KUERGJGTNSBNOH-IRXDYDNUSA-N 2 0 395.548 -0.515 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000419053906 1073765231 /nfs/dbraw/zinc/76/52/31/1073765231.db2.gz KUERGJGTNSBNOH-SJORKVTESA-N 2 0 395.548 -0.515 20 0 GBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419055174 1073765816 /nfs/dbraw/zinc/76/58/16/1073765816.db2.gz NLLOBTIPNSXKBB-DLBZAZTESA-N 2 0 395.548 -0.373 20 0 GBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419055175 1073765664 /nfs/dbraw/zinc/76/56/64/1073765664.db2.gz NLLOBTIPNSXKBB-IAGOWNOFSA-N 2 0 395.548 -0.373 20 0 GBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419055176 1073765791 /nfs/dbraw/zinc/76/57/91/1073765791.db2.gz NLLOBTIPNSXKBB-IRXDYDNUSA-N 2 0 395.548 -0.373 20 0 GBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000419055177 1073766253 /nfs/dbraw/zinc/76/62/53/1073766253.db2.gz NLLOBTIPNSXKBB-SJORKVTESA-N 2 0 395.548 -0.373 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)(N2CCOCC2)CC1 ZINC000419056976 1073765026 /nfs/dbraw/zinc/76/50/26/1073765026.db2.gz SWXHESQHHMZPGQ-KRWDZBQOSA-N 2 0 395.548 -0.467 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)(N2CCOCC2)CC1 ZINC000419056977 1073764975 /nfs/dbraw/zinc/76/49/75/1073764975.db2.gz SWXHESQHHMZPGQ-QGZVFWFLSA-N 2 0 395.548 -0.467 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])(N2CCOCC2)CC1 ZINC000419058981 1073766561 /nfs/dbraw/zinc/76/65/61/1073766561.db2.gz XEEOESJYJIISPN-DLBZAZTESA-N 2 0 395.548 -0.467 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])(N2CCOCC2)CC1 ZINC000419058982 1073766998 /nfs/dbraw/zinc/76/69/98/1073766998.db2.gz XEEOESJYJIISPN-IAGOWNOFSA-N 2 0 395.548 -0.467 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])(N2CCOCC2)CC1 ZINC000419058983 1073767580 /nfs/dbraw/zinc/76/75/80/1073767580.db2.gz XEEOESJYJIISPN-IRXDYDNUSA-N 2 0 395.548 -0.467 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])(N2CCOCC2)CC1 ZINC000419058984 1073767970 /nfs/dbraw/zinc/76/79/70/1073767970.db2.gz XEEOESJYJIISPN-SJORKVTESA-N 2 0 395.548 -0.467 20 0 GBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419083887 1073777694 /nfs/dbraw/zinc/77/76/94/1073777694.db2.gz XKJHTLINIDUPBX-CVEARBPZSA-N 2 0 381.521 -0.319 20 0 GBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419083888 1073777644 /nfs/dbraw/zinc/77/76/44/1073777644.db2.gz XKJHTLINIDUPBX-HOTGVXAUSA-N 2 0 381.521 -0.319 20 0 GBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419083889 1073777747 /nfs/dbraw/zinc/77/77/47/1073777747.db2.gz XKJHTLINIDUPBX-HZPDHXFCSA-N 2 0 381.521 -0.319 20 0 GBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419083890 1073777257 /nfs/dbraw/zinc/77/72/57/1073777257.db2.gz XKJHTLINIDUPBX-JKSUJKDBSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C[NH3+] ZINC000419104289 1073782005 /nfs/dbraw/zinc/78/20/05/1073782005.db2.gz AHLGAURTNHZFSF-DOTOQJQBSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C[NH3+] ZINC000419104291 1073781806 /nfs/dbraw/zinc/78/18/06/1073781806.db2.gz AHLGAURTNHZFSF-NVXWUHKLSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000419104293 1073781942 /nfs/dbraw/zinc/78/19/42/1073781942.db2.gz AHLGAURTNHZFSF-RDJZCZTQSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000419104295 1073782168 /nfs/dbraw/zinc/78/21/68/1073782168.db2.gz AHLGAURTNHZFSF-WBVHZDCISA-N 2 0 388.516 -0.107 20 0 GBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000419108856 1073781076 /nfs/dbraw/zinc/78/10/76/1073781076.db2.gz GPJLWXGUYNJUGA-CALCHBBNSA-N 2 0 386.500 -0.198 20 0 GBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419111372 1073781974 /nfs/dbraw/zinc/78/19/74/1073781974.db2.gz JAWLHIMJUZVXNH-INIZCTEOSA-N 2 0 376.505 -0.061 20 0 GBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419111373 1073781767 /nfs/dbraw/zinc/78/17/67/1073781767.db2.gz JAWLHIMJUZVXNH-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419118353 1073787423 /nfs/dbraw/zinc/78/74/23/1073787423.db2.gz INTJEOKBPJEWCD-CVEARBPZSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419118355 1073787204 /nfs/dbraw/zinc/78/72/04/1073787204.db2.gz INTJEOKBPJEWCD-HOTGVXAUSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419118356 1073787325 /nfs/dbraw/zinc/78/73/25/1073787325.db2.gz INTJEOKBPJEWCD-HZPDHXFCSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419118357 1073787298 /nfs/dbraw/zinc/78/72/98/1073787298.db2.gz INTJEOKBPJEWCD-JKSUJKDBSA-N 2 0 381.521 -0.319 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)N1CC[NH+](C)CC1 ZINC000419127446 1073784699 /nfs/dbraw/zinc/78/46/99/1073784699.db2.gz QIQKSCVXDDPAJP-JYJNAYRXSA-N 2 0 383.537 -0.396 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)N1CC[NH+](C)CC1 ZINC000419127447 1073784275 /nfs/dbraw/zinc/78/42/75/1073784275.db2.gz QIQKSCVXDDPAJP-OAGGEKHMSA-N 2 0 383.537 -0.396 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)N1CC[NH+](C)CC1 ZINC000419127448 1073784598 /nfs/dbraw/zinc/78/45/98/1073784598.db2.gz QIQKSCVXDDPAJP-PMPSAXMXSA-N 2 0 383.537 -0.396 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)N1CC[NH+](C)CC1 ZINC000419127449 1073784340 /nfs/dbraw/zinc/78/43/40/1073784340.db2.gz QIQKSCVXDDPAJP-XHSDSOJGSA-N 2 0 383.537 -0.396 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CC[NH+](C)CC1 ZINC000419127970 1073784731 /nfs/dbraw/zinc/78/47/31/1073784731.db2.gz UIESPYIVCZVOHA-FJIDUMEYSA-N 2 0 379.549 -0.040 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000419127971 1073784631 /nfs/dbraw/zinc/78/46/31/1073784631.db2.gz UIESPYIVCZVOHA-MHORFTMASA-N 2 0 379.549 -0.040 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000419127972 1073784518 /nfs/dbraw/zinc/78/45/18/1073784518.db2.gz UIESPYIVCZVOHA-MLHJIOFPSA-N 2 0 379.549 -0.040 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CC[NH+](C)CC1 ZINC000419127973 1073784664 /nfs/dbraw/zinc/78/46/64/1073784664.db2.gz UIESPYIVCZVOHA-XSLAGTTESA-N 2 0 379.549 -0.040 20 0 GBADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N(CC[NH3+])CCO)CC2)cc1 ZINC000419128840 1073788091 /nfs/dbraw/zinc/78/80/91/1073788091.db2.gz CBWYHILYOFIGQL-UHFFFAOYSA-N 2 0 392.500 -0.197 20 0 GBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000419131340 1073788330 /nfs/dbraw/zinc/78/83/30/1073788330.db2.gz GSALVRRYOBZLLQ-CABCVRRESA-N 2 0 383.537 -0.218 20 0 GBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000419131341 1073788394 /nfs/dbraw/zinc/78/83/94/1073788394.db2.gz GSALVRRYOBZLLQ-GJZGRUSLSA-N 2 0 383.537 -0.218 20 0 GBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000419131342 1073788464 /nfs/dbraw/zinc/78/84/64/1073788464.db2.gz GSALVRRYOBZLLQ-HUUCEWRRSA-N 2 0 383.537 -0.218 20 0 GBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)(C)C ZINC000419131344 1073788351 /nfs/dbraw/zinc/78/83/51/1073788351.db2.gz GSALVRRYOBZLLQ-LSDHHAIUSA-N 2 0 383.537 -0.218 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419140450 1073792227 /nfs/dbraw/zinc/79/22/27/1073792227.db2.gz UCRHCSGGPSZXSK-BFHYXJOUSA-N 2 0 393.454 -0.072 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419140452 1073791842 /nfs/dbraw/zinc/79/18/42/1073791842.db2.gz UCRHCSGGPSZXSK-MCIONIFRSA-N 2 0 393.454 -0.072 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419140455 1073792087 /nfs/dbraw/zinc/79/20/87/1073792087.db2.gz UCRHCSGGPSZXSK-MGPQQGTHSA-N 2 0 393.454 -0.072 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419140456 1073792170 /nfs/dbraw/zinc/79/21/70/1073792170.db2.gz UCRHCSGGPSZXSK-MJBXVCDLSA-N 2 0 393.454 -0.072 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419142179 1073792107 /nfs/dbraw/zinc/79/21/07/1073792107.db2.gz VVTRZJHWRSMSKH-ARFHVFGLSA-N 2 0 381.521 -0.179 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419142200 1073791856 /nfs/dbraw/zinc/79/18/56/1073791856.db2.gz VVTRZJHWRSMSKH-BZUAXINKSA-N 2 0 381.521 -0.179 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419142201 1073792049 /nfs/dbraw/zinc/79/20/49/1073792049.db2.gz VVTRZJHWRSMSKH-OAGGEKHMSA-N 2 0 381.521 -0.179 20 0 GBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419142203 1073793240 /nfs/dbraw/zinc/79/32/40/1073793240.db2.gz VVTRZJHWRSMSKH-XHSDSOJGSA-N 2 0 381.521 -0.179 20 0 GBADRP C[C@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000419146052 1073793627 /nfs/dbraw/zinc/79/36/27/1073793627.db2.gz HJQQEWHLJGXYSR-DOTOQJQBSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000419146054 1073793965 /nfs/dbraw/zinc/79/39/65/1073793965.db2.gz HJQQEWHLJGXYSR-NVXWUHKLSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000419146056 1073793727 /nfs/dbraw/zinc/79/37/27/1073793727.db2.gz HJQQEWHLJGXYSR-RDJZCZTQSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000419146058 1073794012 /nfs/dbraw/zinc/79/40/12/1073794012.db2.gz HJQQEWHLJGXYSR-WBVHZDCISA-N 2 0 388.516 -0.107 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419158483 1073794509 /nfs/dbraw/zinc/79/45/09/1073794509.db2.gz XWNITQBBLOLKAH-AAEUAGOBSA-N 2 0 377.411 -0.708 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419158484 1073794473 /nfs/dbraw/zinc/79/44/73/1073794473.db2.gz XWNITQBBLOLKAH-DGCLKSJQSA-N 2 0 377.411 -0.708 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000419158485 1073794544 /nfs/dbraw/zinc/79/45/44/1073794544.db2.gz XWNITQBBLOLKAH-WCQYABFASA-N 2 0 377.411 -0.708 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000419158486 1073794869 /nfs/dbraw/zinc/79/48/69/1073794869.db2.gz XWNITQBBLOLKAH-YPMHNXCESA-N 2 0 377.411 -0.708 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158514 1073794966 /nfs/dbraw/zinc/79/49/66/1073794966.db2.gz WIMFOTZLTIHNIU-DLBZAZTESA-N 2 0 395.548 -0.216 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158515 1073794620 /nfs/dbraw/zinc/79/46/20/1073794620.db2.gz WIMFOTZLTIHNIU-IAGOWNOFSA-N 2 0 395.548 -0.216 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158516 1073794953 /nfs/dbraw/zinc/79/49/53/1073794953.db2.gz WIMFOTZLTIHNIU-IRXDYDNUSA-N 2 0 395.548 -0.216 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419158517 1073794600 /nfs/dbraw/zinc/79/46/00/1073794600.db2.gz WIMFOTZLTIHNIU-SJORKVTESA-N 2 0 395.548 -0.216 20 0 GBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419158611 1073794719 /nfs/dbraw/zinc/79/47/19/1073794719.db2.gz FBAHOIPMJCXRPY-GDBMZVCRSA-N 2 0 395.548 -0.157 20 0 GBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419158612 1073794502 /nfs/dbraw/zinc/79/45/02/1073794502.db2.gz FBAHOIPMJCXRPY-GOEBONIOSA-N 2 0 395.548 -0.157 20 0 GBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419158613 1073794530 /nfs/dbraw/zinc/79/45/30/1073794530.db2.gz FBAHOIPMJCXRPY-HOCLYGCPSA-N 2 0 395.548 -0.157 20 0 GBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419158614 1073794978 /nfs/dbraw/zinc/79/49/78/1073794978.db2.gz FBAHOIPMJCXRPY-ZBFHGGJFSA-N 2 0 395.548 -0.157 20 0 GBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419161510 1073795797 /nfs/dbraw/zinc/79/57/97/1073795797.db2.gz RTUAIAACQRZBRU-AWEZNQCLSA-N 2 0 393.454 -0.213 20 0 GBADRP C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419161511 1073795606 /nfs/dbraw/zinc/79/56/06/1073795606.db2.gz RTUAIAACQRZBRU-CQSZACIVSA-N 2 0 393.454 -0.213 20 0 GBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419163461 1073796323 /nfs/dbraw/zinc/79/63/23/1073796323.db2.gz WQXCMYGZSGWQDD-INIZCTEOSA-N 2 0 381.521 -0.319 20 0 GBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419163463 1073796339 /nfs/dbraw/zinc/79/63/39/1073796339.db2.gz WQXCMYGZSGWQDD-MRXNPFEDSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000419163982 1073797459 /nfs/dbraw/zinc/79/74/59/1073797459.db2.gz MIARZYZVKRFCKG-CABCVRRESA-N 2 0 395.548 -0.062 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000419163983 1073797271 /nfs/dbraw/zinc/79/72/71/1073797271.db2.gz MIARZYZVKRFCKG-GJZGRUSLSA-N 2 0 395.548 -0.062 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)C[NH2+]1 ZINC000419163984 1073797213 /nfs/dbraw/zinc/79/72/13/1073797213.db2.gz MIARZYZVKRFCKG-HUUCEWRRSA-N 2 0 395.548 -0.062 20 0 GBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419163985 1073797183 /nfs/dbraw/zinc/79/71/83/1073797183.db2.gz MIARZYZVKRFCKG-LSDHHAIUSA-N 2 0 395.548 -0.062 20 0 GBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419164044 1073797413 /nfs/dbraw/zinc/79/74/13/1073797413.db2.gz YAIKVLSHNBDIGS-KRWDZBQOSA-N 2 0 393.532 -0.495 20 0 GBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419164045 1073797364 /nfs/dbraw/zinc/79/73/64/1073797364.db2.gz YAIKVLSHNBDIGS-QGZVFWFLSA-N 2 0 393.532 -0.495 20 0 GBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419164233 1073797232 /nfs/dbraw/zinc/79/72/32/1073797232.db2.gz YKSDAJDEZITMLZ-INIZCTEOSA-N 2 0 376.505 -0.061 20 0 GBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419164234 1073797250 /nfs/dbraw/zinc/79/72/50/1073797250.db2.gz YKSDAJDEZITMLZ-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]1 ZINC000419166428 1073797329 /nfs/dbraw/zinc/79/73/29/1073797329.db2.gz OPNCWHQNENYNQT-AWEZNQCLSA-N 2 0 381.521 -0.450 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]1 ZINC000419166429 1073797536 /nfs/dbraw/zinc/79/75/36/1073797536.db2.gz OPNCWHQNENYNQT-CQSZACIVSA-N 2 0 381.521 -0.450 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166470 1073797498 /nfs/dbraw/zinc/79/74/98/1073797498.db2.gz OUTCKRUHTICQIO-MSOLQXFVSA-N 2 0 390.484 -0.420 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166471 1073798253 /nfs/dbraw/zinc/79/82/53/1073798253.db2.gz OUTCKRUHTICQIO-QZTJIDSGSA-N 2 0 390.484 -0.420 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166472 1073798236 /nfs/dbraw/zinc/79/82/36/1073798236.db2.gz OUTCKRUHTICQIO-ROUUACIJSA-N 2 0 390.484 -0.420 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000419166473 1073798385 /nfs/dbraw/zinc/79/83/85/1073798385.db2.gz OUTCKRUHTICQIO-ZWKOTPCHSA-N 2 0 390.484 -0.420 20 0 GBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419168221 1073798147 /nfs/dbraw/zinc/79/81/47/1073798147.db2.gz QDSVANAIOXCICY-AWEZNQCLSA-N 2 0 381.521 -0.450 20 0 GBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419168224 1073797932 /nfs/dbraw/zinc/79/79/32/1073797932.db2.gz QDSVANAIOXCICY-CQSZACIVSA-N 2 0 381.521 -0.450 20 0 GBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168444 1073803776 /nfs/dbraw/zinc/80/37/76/1073803776.db2.gz SGQKFIIIXCITSB-KRWDZBQOSA-N 2 0 378.473 -0.827 20 0 GBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168445 1073803659 /nfs/dbraw/zinc/80/36/59/1073803659.db2.gz SGQKFIIIXCITSB-QGZVFWFLSA-N 2 0 378.473 -0.827 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419169596 1073803628 /nfs/dbraw/zinc/80/36/28/1073803628.db2.gz MLBZOHVYQFDGFA-CVEARBPZSA-N 2 0 381.521 -0.464 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419169597 1073803467 /nfs/dbraw/zinc/80/34/67/1073803467.db2.gz MLBZOHVYQFDGFA-HOTGVXAUSA-N 2 0 381.521 -0.464 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419169598 1073803495 /nfs/dbraw/zinc/80/34/95/1073803495.db2.gz MLBZOHVYQFDGFA-HZPDHXFCSA-N 2 0 381.521 -0.464 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419169599 1073804309 /nfs/dbraw/zinc/80/43/09/1073804309.db2.gz MLBZOHVYQFDGFA-JKSUJKDBSA-N 2 0 381.521 -0.464 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419170803 1073799063 /nfs/dbraw/zinc/79/90/63/1073799063.db2.gz WQHSLZHQFXGHDL-MSOLQXFVSA-N 2 0 390.484 -0.502 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419170804 1073799249 /nfs/dbraw/zinc/79/92/49/1073799249.db2.gz WQHSLZHQFXGHDL-QZTJIDSGSA-N 2 0 390.484 -0.502 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419170805 1073799494 /nfs/dbraw/zinc/79/94/94/1073799494.db2.gz WQHSLZHQFXGHDL-ROUUACIJSA-N 2 0 390.484 -0.502 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419170806 1073800462 /nfs/dbraw/zinc/80/04/62/1073800462.db2.gz WQHSLZHQFXGHDL-ZWKOTPCHSA-N 2 0 390.484 -0.502 20 0 GBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419171630 1073800699 /nfs/dbraw/zinc/80/06/99/1073800699.db2.gz TXIHLBCUFWSKOU-INIZCTEOSA-N 2 0 395.548 -0.060 20 0 GBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419171631 1073800238 /nfs/dbraw/zinc/80/02/38/1073800238.db2.gz TXIHLBCUFWSKOU-MRXNPFEDSA-N 2 0 395.548 -0.060 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C)[NH2+]1 ZINC000419171710 1073800542 /nfs/dbraw/zinc/80/05/42/1073800542.db2.gz UGJVPGHNIKTSCG-GASCZTMLSA-N 2 0 395.548 -0.062 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C)[NH2+]1 ZINC000419171711 1073800345 /nfs/dbraw/zinc/80/03/45/1073800345.db2.gz UGJVPGHNIKTSCG-GJZGRUSLSA-N 2 0 395.548 -0.062 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000419171712 1073799906 /nfs/dbraw/zinc/79/99/06/1073799906.db2.gz UGJVPGHNIKTSCG-HUUCEWRRSA-N 2 0 395.548 -0.062 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419173551 1073800185 /nfs/dbraw/zinc/80/01/85/1073800185.db2.gz VKQWSLJEMBWTNN-INIZCTEOSA-N 2 0 395.548 -0.012 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419173555 1073799993 /nfs/dbraw/zinc/79/99/93/1073799993.db2.gz VKQWSLJEMBWTNN-MRXNPFEDSA-N 2 0 395.548 -0.012 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419174343 1073801124 /nfs/dbraw/zinc/80/11/24/1073801124.db2.gz VIDJTUYPIYJOLS-IBGZPJMESA-N 2 0 387.528 -0.311 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419174344 1073801618 /nfs/dbraw/zinc/80/16/18/1073801618.db2.gz VIDJTUYPIYJOLS-LJQANCHMSA-N 2 0 387.528 -0.311 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419176313 1073803047 /nfs/dbraw/zinc/80/30/47/1073803047.db2.gz YRNZGJXMQHRRDA-UHFFFAOYSA-N 2 0 395.548 -0.060 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000419192561 1073805496 /nfs/dbraw/zinc/80/54/96/1073805496.db2.gz PGSFPWYWHBBKGX-UHFFFAOYSA-N 2 0 387.528 -0.169 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000419196894 1073808103 /nfs/dbraw/zinc/80/81/03/1073808103.db2.gz ADNGCBCBUFUTMK-GASCZTMLSA-N 2 0 389.500 -0.197 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000419196895 1073807175 /nfs/dbraw/zinc/80/71/75/1073807175.db2.gz ADNGCBCBUFUTMK-GJZGRUSLSA-N 2 0 389.500 -0.197 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C[C@@H](C)[NH2+]1 ZINC000419196896 1073807651 /nfs/dbraw/zinc/80/76/51/1073807651.db2.gz ADNGCBCBUFUTMK-HUUCEWRRSA-N 2 0 389.500 -0.197 20 0 GBADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000419197422 1073805151 /nfs/dbraw/zinc/80/51/51/1073805151.db2.gz BBOGVAWAHZCZAD-DOTOQJQBSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000419197424 1073808781 /nfs/dbraw/zinc/80/87/81/1073808781.db2.gz BBOGVAWAHZCZAD-NVXWUHKLSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000419197426 1073808902 /nfs/dbraw/zinc/80/89/02/1073808902.db2.gz BBOGVAWAHZCZAD-RDJZCZTQSA-N 2 0 388.516 -0.107 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000419197428 1073809186 /nfs/dbraw/zinc/80/91/86/1073809186.db2.gz BBOGVAWAHZCZAD-WBVHZDCISA-N 2 0 388.516 -0.107 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419198163 1073808163 /nfs/dbraw/zinc/80/81/63/1073808163.db2.gz YPFSBQZBKQIVGH-UHFFFAOYSA-N 2 0 391.491 -0.072 20 0 GBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419199904 1073809230 /nfs/dbraw/zinc/80/92/30/1073809230.db2.gz DDBGJNFUYPZUMT-INIZCTEOSA-N 2 0 376.505 -0.061 20 0 GBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419199908 1073808918 /nfs/dbraw/zinc/80/89/18/1073808918.db2.gz DDBGJNFUYPZUMT-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419200500 1073809241 /nfs/dbraw/zinc/80/92/41/1073809241.db2.gz DVWSQDZDPUGQFY-KRWDZBQOSA-N 2 0 389.500 -0.195 20 0 GBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419200501 1073808736 /nfs/dbraw/zinc/80/87/36/1073808736.db2.gz DVWSQDZDPUGQFY-QGZVFWFLSA-N 2 0 389.500 -0.195 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000419203000 1073811032 /nfs/dbraw/zinc/81/10/32/1073811032.db2.gz HDIYXWWPAXEDMI-UHFFFAOYSA-N 2 0 389.500 -0.195 20 0 GBADRP CCN(C)C(=O)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419203954 1073812793 /nfs/dbraw/zinc/81/27/93/1073812793.db2.gz ONRCQYYOBPXZJT-UHFFFAOYSA-N 2 0 389.500 -0.309 20 0 GBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC000419207728 1073826657 /nfs/dbraw/zinc/82/66/57/1073826657.db2.gz PNLNDNLAMDJBBL-CALCHBBNSA-N 2 0 386.500 -0.198 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000419210188 1073832051 /nfs/dbraw/zinc/83/20/51/1073832051.db2.gz UPEBZMZCYZHGAD-GJZGRUSLSA-N 2 0 389.500 -0.197 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C[NH2+]1 ZINC000419210189 1073832609 /nfs/dbraw/zinc/83/26/09/1073832609.db2.gz UPEBZMZCYZHGAD-HUUCEWRRSA-N 2 0 389.500 -0.197 20 0 GBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000419210190 1073832510 /nfs/dbraw/zinc/83/25/10/1073832510.db2.gz UPEBZMZCYZHGAD-LSDHHAIUSA-N 2 0 389.500 -0.197 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[NH2+]1 ZINC000419211355 1073832274 /nfs/dbraw/zinc/83/22/74/1073832274.db2.gz XEFPMYLZEBITGF-AWEZNQCLSA-N 2 0 375.473 -0.586 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[NH2+]1 ZINC000419211356 1073832687 /nfs/dbraw/zinc/83/26/87/1073832687.db2.gz XEFPMYLZEBITGF-CQSZACIVSA-N 2 0 375.473 -0.586 20 0 GBADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000419212406 1073834314 /nfs/dbraw/zinc/83/43/14/1073834314.db2.gz JZPQVONPBLCCAC-HOTGVXAUSA-N 2 0 392.500 -0.308 20 0 GBADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@@H](C)O1 ZINC000419212407 1073834776 /nfs/dbraw/zinc/83/47/76/1073834776.db2.gz JZPQVONPBLCCAC-HZPDHXFCSA-N 2 0 392.500 -0.308 20 0 GBADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C[C@H](C)O1 ZINC000419212408 1073834659 /nfs/dbraw/zinc/83/46/59/1073834659.db2.gz JZPQVONPBLCCAC-IYBDPMFKSA-N 2 0 392.500 -0.308 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419216604 1073849721 /nfs/dbraw/zinc/84/97/21/1073849721.db2.gz BUWCBLSBFVVZED-AWEZNQCLSA-N 2 0 391.438 -0.293 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419216605 1073850233 /nfs/dbraw/zinc/85/02/33/1073850233.db2.gz BUWCBLSBFVVZED-CQSZACIVSA-N 2 0 391.438 -0.293 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419227118 1073868255 /nfs/dbraw/zinc/86/82/55/1073868255.db2.gz SDEUWXHVPCBFKZ-INIZCTEOSA-N 2 0 379.505 -0.399 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419227119 1073868174 /nfs/dbraw/zinc/86/81/74/1073868174.db2.gz SDEUWXHVPCBFKZ-MRXNPFEDSA-N 2 0 379.505 -0.399 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228946 1073869048 /nfs/dbraw/zinc/86/90/48/1073869048.db2.gz WFAGAAJAFJASMM-KRWDZBQOSA-N 2 0 391.516 -0.575 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228947 1073868851 /nfs/dbraw/zinc/86/88/51/1073868851.db2.gz WFAGAAJAFJASMM-QGZVFWFLSA-N 2 0 391.516 -0.575 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000419229456 1073870747 /nfs/dbraw/zinc/87/07/47/1073870747.db2.gz XDSSNNZUJFBJKX-SJORKVTESA-N 2 0 376.501 -0.018 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419230967 1073873298 /nfs/dbraw/zinc/87/32/98/1073873298.db2.gz QRHXERADVJVRRV-DLBZAZTESA-N 2 0 393.532 -0.319 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419230968 1073872691 /nfs/dbraw/zinc/87/26/91/1073872691.db2.gz QRHXERADVJVRRV-IAGOWNOFSA-N 2 0 393.532 -0.319 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419230969 1073872124 /nfs/dbraw/zinc/87/21/24/1073872124.db2.gz QRHXERADVJVRRV-IRXDYDNUSA-N 2 0 393.532 -0.319 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000419230970 1073871808 /nfs/dbraw/zinc/87/18/08/1073871808.db2.gz QRHXERADVJVRRV-SJORKVTESA-N 2 0 393.532 -0.319 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419246381 1073880572 /nfs/dbraw/zinc/88/05/72/1073880572.db2.gz WGDZJMUWODPBCA-HNNXBMFYSA-N 2 0 379.505 -0.743 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419246383 1073880871 /nfs/dbraw/zinc/88/08/71/1073880871.db2.gz WGDZJMUWODPBCA-OAHLLOKOSA-N 2 0 379.505 -0.743 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000419248203 1073881242 /nfs/dbraw/zinc/88/12/42/1073881242.db2.gz YAWABXOKHPFHAS-GFCCVEGCSA-N 2 0 379.427 -0.461 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000419248204 1073881354 /nfs/dbraw/zinc/88/13/54/1073881354.db2.gz YAWABXOKHPFHAS-LBPRGKRZSA-N 2 0 379.427 -0.461 20 0 GBADRP C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419286594 1073895841 /nfs/dbraw/zinc/89/58/41/1073895841.db2.gz QWBGHMKNEUFOJV-AWEZNQCLSA-N 2 0 395.479 -0.466 20 0 GBADRP C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419286599 1073895555 /nfs/dbraw/zinc/89/55/55/1073895555.db2.gz QWBGHMKNEUFOJV-CQSZACIVSA-N 2 0 395.479 -0.466 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419288053 1073895379 /nfs/dbraw/zinc/89/53/79/1073895379.db2.gz QWOKMGPGMMGAFU-DLBZAZTESA-N 2 0 395.548 -0.059 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419288056 1073895938 /nfs/dbraw/zinc/89/59/38/1073895938.db2.gz QWOKMGPGMMGAFU-IAGOWNOFSA-N 2 0 395.548 -0.059 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419288058 1073895763 /nfs/dbraw/zinc/89/57/63/1073895763.db2.gz QWOKMGPGMMGAFU-IRXDYDNUSA-N 2 0 395.548 -0.059 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419288061 1073895272 /nfs/dbraw/zinc/89/52/72/1073895272.db2.gz QWOKMGPGMMGAFU-SJORKVTESA-N 2 0 395.548 -0.059 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419288254 1073895856 /nfs/dbraw/zinc/89/58/56/1073895856.db2.gz RRGGQVQEEOSYRJ-INIZCTEOSA-N 2 0 381.521 -0.495 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419288255 1073895971 /nfs/dbraw/zinc/89/59/71/1073895971.db2.gz RRGGQVQEEOSYRJ-MRXNPFEDSA-N 2 0 381.521 -0.495 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000419308480 1073902023 /nfs/dbraw/zinc/90/20/23/1073902023.db2.gz AURLYXWDONTWCJ-FMKPAKJESA-N 2 0 379.505 -0.426 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000419308481 1073902111 /nfs/dbraw/zinc/90/21/11/1073902111.db2.gz AURLYXWDONTWCJ-IIAWOOMASA-N 2 0 379.505 -0.426 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000419308482 1073902057 /nfs/dbraw/zinc/90/20/57/1073902057.db2.gz AURLYXWDONTWCJ-IJEWVQPXSA-N 2 0 379.505 -0.426 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000419308483 1073902184 /nfs/dbraw/zinc/90/21/84/1073902184.db2.gz AURLYXWDONTWCJ-YCPHGPKFSA-N 2 0 379.505 -0.426 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310685 1073901463 /nfs/dbraw/zinc/90/14/63/1073901463.db2.gz ATDOZOLFMDAMAX-BNOWGMLFSA-N 2 0 391.438 -0.462 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310692 1073900820 /nfs/dbraw/zinc/90/08/20/1073900820.db2.gz ATDOZOLFMDAMAX-KWCYVHTRSA-N 2 0 391.438 -0.462 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310695 1073902170 /nfs/dbraw/zinc/90/21/70/1073902170.db2.gz ATDOZOLFMDAMAX-MRVWCRGKSA-N 2 0 391.438 -0.462 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419310697 1073901857 /nfs/dbraw/zinc/90/18/57/1073901857.db2.gz ATDOZOLFMDAMAX-XBFCOCLRSA-N 2 0 391.438 -0.462 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000419326584 1073908612 /nfs/dbraw/zinc/90/86/12/1073908612.db2.gz YLFPEZATFHLSGI-BZPMIXESSA-N 2 0 391.438 -0.320 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000419326585 1073908313 /nfs/dbraw/zinc/90/83/13/1073908313.db2.gz YLFPEZATFHLSGI-DYEKYZERSA-N 2 0 391.438 -0.320 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000419326586 1073908243 /nfs/dbraw/zinc/90/82/43/1073908243.db2.gz YLFPEZATFHLSGI-MBNYWOFBSA-N 2 0 391.438 -0.320 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000419326587 1073908295 /nfs/dbraw/zinc/90/82/95/1073908295.db2.gz YLFPEZATFHLSGI-YRGRVCCFSA-N 2 0 391.438 -0.320 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419327799 1073908048 /nfs/dbraw/zinc/90/80/48/1073908048.db2.gz DQQUJWITOCGQQI-BMFZPTHFSA-N 2 0 379.505 -0.569 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419327800 1073908081 /nfs/dbraw/zinc/90/80/81/1073908081.db2.gz DQQUJWITOCGQQI-FVQBIDKESA-N 2 0 379.505 -0.569 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419327801 1073907871 /nfs/dbraw/zinc/90/78/71/1073907871.db2.gz DQQUJWITOCGQQI-KBMXLJTQSA-N 2 0 379.505 -0.569 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419327802 1073908331 /nfs/dbraw/zinc/90/83/31/1073908331.db2.gz DQQUJWITOCGQQI-VNQPRFMTSA-N 2 0 379.505 -0.569 20 0 GBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000419329990 1073909663 /nfs/dbraw/zinc/90/96/63/1073909663.db2.gz FTCJPBFJPVZFAC-UHFFFAOYSA-N 2 0 391.516 -0.780 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cn2)CC1 ZINC000419331839 1073910361 /nfs/dbraw/zinc/91/03/61/1073910361.db2.gz HHJQHKBKCBUBJZ-SJORKVTESA-N 2 0 386.500 -0.340 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cn2)CC1 ZINC000419335718 1073911358 /nfs/dbraw/zinc/91/13/58/1073911358.db2.gz JVXAMIVIVCAGGI-INIZCTEOSA-N 2 0 376.505 -0.061 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cn2)CC1 ZINC000419335719 1073911298 /nfs/dbraw/zinc/91/12/98/1073911298.db2.gz JVXAMIVIVCAGGI-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419340406 1073913763 /nfs/dbraw/zinc/91/37/63/1073913763.db2.gz NCMBNBPTEIQWQK-UHFFFAOYSA-N 2 0 391.516 -0.780 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000419341620 1073914342 /nfs/dbraw/zinc/91/43/42/1073914342.db2.gz OKXFWLXRZZCXKS-CALCHBBNSA-N 2 0 386.500 -0.483 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419341974 1073913079 /nfs/dbraw/zinc/91/30/79/1073913079.db2.gz BKRYLPCIDUJZRN-CVEARBPZSA-N 2 0 381.521 -0.286 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419341975 1073914156 /nfs/dbraw/zinc/91/41/56/1073914156.db2.gz BKRYLPCIDUJZRN-HOTGVXAUSA-N 2 0 381.521 -0.286 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419341976 1073914073 /nfs/dbraw/zinc/91/40/73/1073914073.db2.gz BKRYLPCIDUJZRN-HZPDHXFCSA-N 2 0 381.521 -0.286 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419341977 1073914324 /nfs/dbraw/zinc/91/43/24/1073914324.db2.gz BKRYLPCIDUJZRN-JKSUJKDBSA-N 2 0 381.521 -0.286 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419342280 1073914307 /nfs/dbraw/zinc/91/43/07/1073914307.db2.gz BYUYTXONNNDGLI-KRWDZBQOSA-N 2 0 389.500 -0.323 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419342281 1073914092 /nfs/dbraw/zinc/91/40/92/1073914092.db2.gz BYUYTXONNNDGLI-QGZVFWFLSA-N 2 0 389.500 -0.323 20 0 GBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343844 1073914958 /nfs/dbraw/zinc/91/49/58/1073914958.db2.gz GQJAECDKNKANPV-CABCVRRESA-N 2 0 381.521 -0.416 20 0 GBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343845 1073915234 /nfs/dbraw/zinc/91/52/34/1073915234.db2.gz GQJAECDKNKANPV-GJZGRUSLSA-N 2 0 381.521 -0.416 20 0 GBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419343846 1073914976 /nfs/dbraw/zinc/91/49/76/1073914976.db2.gz GQJAECDKNKANPV-HUUCEWRRSA-N 2 0 381.521 -0.416 20 0 GBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419343847 1073915141 /nfs/dbraw/zinc/91/51/41/1073915141.db2.gz GQJAECDKNKANPV-LSDHHAIUSA-N 2 0 381.521 -0.416 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cn2)CC1 ZINC000419345623 1073915704 /nfs/dbraw/zinc/91/57/04/1073915704.db2.gz UISUBNBTGDCDOO-DOTOQJQBSA-N 2 0 388.516 -0.046 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cn2)CC1 ZINC000419345624 1073916133 /nfs/dbraw/zinc/91/61/33/1073916133.db2.gz UISUBNBTGDCDOO-NVXWUHKLSA-N 2 0 388.516 -0.046 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cn2)CC1 ZINC000419345625 1073916016 /nfs/dbraw/zinc/91/60/16/1073916016.db2.gz UISUBNBTGDCDOO-RDJZCZTQSA-N 2 0 388.516 -0.046 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cn2)CC1 ZINC000419345626 1073916366 /nfs/dbraw/zinc/91/63/66/1073916366.db2.gz UISUBNBTGDCDOO-WBVHZDCISA-N 2 0 388.516 -0.046 20 0 GBADRP CCC[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000419346675 1073917159 /nfs/dbraw/zinc/91/71/59/1073917159.db2.gz VRFFLEPZIUZYDS-UHFFFAOYSA-N 2 0 376.505 -0.045 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419347491 1073917075 /nfs/dbraw/zinc/91/70/75/1073917075.db2.gz QGRVKICCSZJTIG-HNNXBMFYSA-N 2 0 381.521 -0.142 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419347492 1073917031 /nfs/dbraw/zinc/91/70/31/1073917031.db2.gz QGRVKICCSZJTIG-OAHLLOKOSA-N 2 0 381.521 -0.142 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000419348336 1073917351 /nfs/dbraw/zinc/91/73/51/1073917351.db2.gz AZBLAAKUKYUYBM-CALCHBBNSA-N 3 0 388.516 -0.081 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419348337 1073917336 /nfs/dbraw/zinc/91/73/36/1073917336.db2.gz AZBLAAKUKYUYBM-IAGOWNOFSA-N 3 0 388.516 -0.081 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000419348338 1073917137 /nfs/dbraw/zinc/91/71/37/1073917137.db2.gz AZBLAAKUKYUYBM-IRXDYDNUSA-N 3 0 388.516 -0.081 20 0 GBADRP NCC(F)(F)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419348929 1073917981 /nfs/dbraw/zinc/91/79/81/1073917981.db2.gz CKDSTOJCRXLHQW-UHFFFAOYSA-N 2 0 384.431 -0.580 20 0 GBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419349908 1073918291 /nfs/dbraw/zinc/91/82/91/1073918291.db2.gz FBJXPSHAUFJSQN-GOSISDBHSA-N 3 0 388.516 -0.080 20 0 GBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419349909 1073918395 /nfs/dbraw/zinc/91/83/95/1073918395.db2.gz FBJXPSHAUFJSQN-SFHVURJKSA-N 3 0 388.516 -0.080 20 0 GBADRP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350444 1073918547 /nfs/dbraw/zinc/91/85/47/1073918547.db2.gz FXBAYWNTCVXOCR-UHFFFAOYSA-N 3 0 376.505 -0.222 20 0 GBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350668 1073918280 /nfs/dbraw/zinc/91/82/80/1073918280.db2.gz GGMJUARQHPABCX-INIZCTEOSA-N 3 0 376.505 -0.318 20 0 GBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350669 1073918164 /nfs/dbraw/zinc/91/81/64/1073918164.db2.gz GGMJUARQHPABCX-MRXNPFEDSA-N 3 0 376.505 -0.318 20 0 GBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350901 1073919122 /nfs/dbraw/zinc/91/91/22/1073919122.db2.gz GLBATEDPHZWFKM-KRWDZBQOSA-N 3 0 376.505 -0.191 20 0 GBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419350902 1073919282 /nfs/dbraw/zinc/91/92/82/1073919282.db2.gz GLBATEDPHZWFKM-QGZVFWFLSA-N 3 0 376.505 -0.191 20 0 GBADRP CC1(C)CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000419351296 1073918045 /nfs/dbraw/zinc/91/80/45/1073918045.db2.gz HCTWWVCGGUHCII-UHFFFAOYSA-N 3 0 388.516 -0.080 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419351608 1073918443 /nfs/dbraw/zinc/91/84/43/1073918443.db2.gz HSESVUPPXADKKA-QGZVFWFLSA-N 3 0 388.516 -0.032 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419351962 1073919379 /nfs/dbraw/zinc/91/93/79/1073919379.db2.gz IDJWHVHQGHSLOI-KRWDZBQOSA-N 3 0 388.516 -0.032 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419351963 1073919219 /nfs/dbraw/zinc/91/92/19/1073919219.db2.gz IDJWHVHQGHSLOI-QGZVFWFLSA-N 3 0 388.516 -0.032 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419354062 1073921314 /nfs/dbraw/zinc/92/13/14/1073921314.db2.gz KJZGAMIYPXEIMN-AEFFLSMTSA-N 3 0 386.500 -0.470 20 0 GBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419359318 1073925508 /nfs/dbraw/zinc/92/55/08/1073925508.db2.gz QIBUIDLCMFVTIS-DLBZAZTESA-N 3 0 388.516 -0.081 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C[NH2+]1 ZINC000419359320 1073925549 /nfs/dbraw/zinc/92/55/49/1073925549.db2.gz QIBUIDLCMFVTIS-IAGOWNOFSA-N 3 0 388.516 -0.081 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419359322 1073925455 /nfs/dbraw/zinc/92/54/55/1073925455.db2.gz QIBUIDLCMFVTIS-IRXDYDNUSA-N 3 0 388.516 -0.081 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419359324 1073925515 /nfs/dbraw/zinc/92/55/15/1073925515.db2.gz QIBUIDLCMFVTIS-SJORKVTESA-N 3 0 388.516 -0.081 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419360374 1073924851 /nfs/dbraw/zinc/92/48/51/1073924851.db2.gz RNUKJNBDBRGOHS-CALCHBBNSA-N 3 0 386.500 -0.612 20 0 GBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419360388 1073925153 /nfs/dbraw/zinc/92/51/53/1073925153.db2.gz ROKSCKZJKZOALU-MRXNPFEDSA-N 3 0 376.505 -0.176 20 0 GBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419361445 1073926364 /nfs/dbraw/zinc/92/63/64/1073926364.db2.gz SKTOEFUMUKREPN-AEFFLSMTSA-N 3 0 388.516 -0.176 20 0 GBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419361446 1073926780 /nfs/dbraw/zinc/92/67/80/1073926780.db2.gz SKTOEFUMUKREPN-FUHWJXTLSA-N 3 0 388.516 -0.176 20 0 GBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419361447 1073926676 /nfs/dbraw/zinc/92/66/76/1073926676.db2.gz SKTOEFUMUKREPN-SJLPKXTDSA-N 3 0 388.516 -0.176 20 0 GBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419361448 1073926430 /nfs/dbraw/zinc/92/64/30/1073926430.db2.gz SKTOEFUMUKREPN-WMZOPIPTSA-N 3 0 388.516 -0.176 20 0 GBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419362069 1073926717 /nfs/dbraw/zinc/92/67/17/1073926717.db2.gz UGDXZQMQZADYAT-MSOLQXFVSA-N 2 0 392.500 -0.049 20 0 GBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419362070 1073926588 /nfs/dbraw/zinc/92/65/88/1073926588.db2.gz UGDXZQMQZADYAT-QZTJIDSGSA-N 2 0 392.500 -0.049 20 0 GBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419362071 1073926148 /nfs/dbraw/zinc/92/61/48/1073926148.db2.gz UGDXZQMQZADYAT-ROUUACIJSA-N 2 0 392.500 -0.049 20 0 GBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419362072 1073926059 /nfs/dbraw/zinc/92/60/59/1073926059.db2.gz UGDXZQMQZADYAT-ZWKOTPCHSA-N 2 0 392.500 -0.049 20 0 GBADRP CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419392559 1073952582 /nfs/dbraw/zinc/95/25/82/1073952582.db2.gz LIJDPTVNRXWYEN-UHFFFAOYSA-N 2 0 387.528 -0.039 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401887 1072162293 /nfs/dbraw/zinc/16/22/93/1072162293.db2.gz BHLHQWIAUPRDPT-KBPBESRZSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401888 1072162611 /nfs/dbraw/zinc/16/26/11/1072162611.db2.gz BHLHQWIAUPRDPT-KGLIPLIRSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401890 1072162512 /nfs/dbraw/zinc/16/25/12/1072162512.db2.gz BHLHQWIAUPRDPT-UONOGXRCSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000419401892 1072162388 /nfs/dbraw/zinc/16/23/88/1072162388.db2.gz BHLHQWIAUPRDPT-ZIAGYGMSSA-N 2 0 393.454 -0.213 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419402639 1072162043 /nfs/dbraw/zinc/16/20/43/1072162043.db2.gz CPZMXTNGFMHUKE-KRWDZBQOSA-N 2 0 393.532 -0.495 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419402640 1072162585 /nfs/dbraw/zinc/16/25/85/1072162585.db2.gz CPZMXTNGFMHUKE-QGZVFWFLSA-N 2 0 393.532 -0.495 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419410109 1072164475 /nfs/dbraw/zinc/16/44/75/1072164475.db2.gz OEVVZPAGKIOCRX-AWEZNQCLSA-N 2 0 393.454 -0.213 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000419410111 1072164397 /nfs/dbraw/zinc/16/43/97/1072164397.db2.gz OEVVZPAGKIOCRX-CQSZACIVSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410970 1072164116 /nfs/dbraw/zinc/16/41/16/1072164116.db2.gz PHMDNNSOLMBLEK-DLBZAZTESA-N 2 0 393.532 -0.495 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410971 1072164446 /nfs/dbraw/zinc/16/44/46/1072164446.db2.gz PHMDNNSOLMBLEK-IAGOWNOFSA-N 2 0 393.532 -0.495 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410972 1072164564 /nfs/dbraw/zinc/16/45/64/1072164564.db2.gz PHMDNNSOLMBLEK-IRXDYDNUSA-N 2 0 393.532 -0.495 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000419410974 1072164493 /nfs/dbraw/zinc/16/44/93/1072164493.db2.gz PHMDNNSOLMBLEK-SJORKVTESA-N 2 0 393.532 -0.495 20 0 GBADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419411402 1072164543 /nfs/dbraw/zinc/16/45/43/1072164543.db2.gz BNDDZIWPXPDEHW-BGYRXZFFSA-N 2 0 399.539 -0.012 20 0 GBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419411936 1072165631 /nfs/dbraw/zinc/16/56/31/1072165631.db2.gz CDXFEVVNPPYFRR-CVEARBPZSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419411939 1072165043 /nfs/dbraw/zinc/16/50/43/1072165043.db2.gz CDXFEVVNPPYFRR-HOTGVXAUSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419411942 1072165469 /nfs/dbraw/zinc/16/54/69/1072165469.db2.gz CDXFEVVNPPYFRR-HZPDHXFCSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419411946 1072165394 /nfs/dbraw/zinc/16/53/94/1072165394.db2.gz CDXFEVVNPPYFRR-JKSUJKDBSA-N 2 0 381.521 -0.177 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000419412369 1072165081 /nfs/dbraw/zinc/16/50/81/1072165081.db2.gz CZGZIUZWXJLQHX-GOSISDBHSA-N 2 0 389.500 -0.499 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000419412373 1072165657 /nfs/dbraw/zinc/16/56/57/1072165657.db2.gz CZGZIUZWXJLQHX-SFHVURJKSA-N 2 0 389.500 -0.499 20 0 GBADRP CC[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419414109 1072165224 /nfs/dbraw/zinc/16/52/24/1072165224.db2.gz SQMJRDGSTVPOLI-IBGZPJMESA-N 2 0 387.528 -0.039 20 0 GBADRP CC[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000419414112 1072165012 /nfs/dbraw/zinc/16/50/12/1072165012.db2.gz SQMJRDGSTVPOLI-LJQANCHMSA-N 2 0 387.528 -0.039 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419416031 1072165755 /nfs/dbraw/zinc/16/57/55/1072165755.db2.gz VRUGDOTYEUOLPB-CVEARBPZSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419416033 1072165498 /nfs/dbraw/zinc/16/54/98/1072165498.db2.gz VRUGDOTYEUOLPB-HOTGVXAUSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419416034 1072165801 /nfs/dbraw/zinc/16/58/01/1072165801.db2.gz VRUGDOTYEUOLPB-HZPDHXFCSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419416036 1072165736 /nfs/dbraw/zinc/16/57/36/1072165736.db2.gz VRUGDOTYEUOLPB-JKSUJKDBSA-N 2 0 381.521 -0.319 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419420047 1072163380 /nfs/dbraw/zinc/16/33/80/1072163380.db2.gz ZZRAVAFDCMDZDL-INIZCTEOSA-N 2 0 381.521 -0.319 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419420050 1072163655 /nfs/dbraw/zinc/16/36/55/1072163655.db2.gz ZZRAVAFDCMDZDL-MRXNPFEDSA-N 2 0 381.521 -0.319 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419420604 1072163229 /nfs/dbraw/zinc/16/32/29/1072163229.db2.gz NQLLQGWWQHWLDK-HDICACEKSA-N 2 0 385.512 -0.007 20 0 GBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422980 1072163454 /nfs/dbraw/zinc/16/34/54/1072163454.db2.gz REHPUGPRQZMMDZ-UHFFFAOYSA-N 2 0 377.489 -0.906 20 0 GBADRP CN1CC[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000419424409 1072163343 /nfs/dbraw/zinc/16/33/43/1072163343.db2.gz UDJFPOPQFAMOEL-GOSISDBHSA-N 2 0 391.516 -0.739 20 0 GBADRP CN1CC[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000419424411 1072164586 /nfs/dbraw/zinc/16/45/86/1072164586.db2.gz UDJFPOPQFAMOEL-SFHVURJKSA-N 2 0 391.516 -0.739 20 0 GBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424465 1072164075 /nfs/dbraw/zinc/16/40/75/1072164075.db2.gz OHXCXIAAFALQNA-KBPBESRZSA-N 2 0 393.454 -0.071 20 0 GBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424466 1072164513 /nfs/dbraw/zinc/16/45/13/1072164513.db2.gz OHXCXIAAFALQNA-KGLIPLIRSA-N 2 0 393.454 -0.071 20 0 GBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424467 1072164286 /nfs/dbraw/zinc/16/42/86/1072164286.db2.gz OHXCXIAAFALQNA-UONOGXRCSA-N 2 0 393.454 -0.071 20 0 GBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419424468 1072164060 /nfs/dbraw/zinc/16/40/60/1072164060.db2.gz OHXCXIAAFALQNA-ZIAGYGMSSA-N 2 0 393.454 -0.071 20 0 GBADRP C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419425182 1072539701 /nfs/dbraw/zinc/53/97/01/1072539701.db2.gz VLUXHDYFGGDLMT-UHFFFAOYSA-N 2 0 375.517 -0.012 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419426435 1072164249 /nfs/dbraw/zinc/16/42/49/1072164249.db2.gz XNWDTWXLKVBOCG-GOSISDBHSA-N 2 0 389.500 -0.581 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419426438 1072164361 /nfs/dbraw/zinc/16/43/61/1072164361.db2.gz XNWDTWXLKVBOCG-SFHVURJKSA-N 2 0 389.500 -0.581 20 0 GBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419426867 1072164506 /nfs/dbraw/zinc/16/45/06/1072164506.db2.gz RFGUQQMJOZOGQZ-BBWFWOEESA-N 2 0 395.548 -0.216 20 0 GBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419426868 1072164190 /nfs/dbraw/zinc/16/41/90/1072164190.db2.gz RFGUQQMJOZOGQZ-BRWVUGGUSA-N 2 0 395.548 -0.216 20 0 GBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419426870 1072164372 /nfs/dbraw/zinc/16/43/72/1072164372.db2.gz RFGUQQMJOZOGQZ-IXDOHACOSA-N 2 0 395.548 -0.216 20 0 GBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419426872 1072164410 /nfs/dbraw/zinc/16/44/10/1072164410.db2.gz RFGUQQMJOZOGQZ-ZACQAIPSSA-N 2 0 395.548 -0.216 20 0 GBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419433585 1072164381 /nfs/dbraw/zinc/16/43/81/1072164381.db2.gz ZPXMWNKKJQLBLF-DLBZAZTESA-N 2 0 393.532 -0.353 20 0 GBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419433586 1072164555 /nfs/dbraw/zinc/16/45/55/1072164555.db2.gz ZPXMWNKKJQLBLF-IAGOWNOFSA-N 2 0 393.532 -0.353 20 0 GBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419433587 1072164522 /nfs/dbraw/zinc/16/45/22/1072164522.db2.gz ZPXMWNKKJQLBLF-IRXDYDNUSA-N 2 0 393.532 -0.353 20 0 GBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419433588 1072164266 /nfs/dbraw/zinc/16/42/66/1072164266.db2.gz ZPXMWNKKJQLBLF-SJORKVTESA-N 2 0 393.532 -0.353 20 0 GBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419481406 1072170421 /nfs/dbraw/zinc/17/04/21/1072170421.db2.gz ORGLUIWDVFSUFV-KRWDZBQOSA-N 2 0 395.548 -0.072 20 0 GBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419481407 1072170237 /nfs/dbraw/zinc/17/02/37/1072170237.db2.gz ORGLUIWDVFSUFV-QGZVFWFLSA-N 2 0 395.548 -0.072 20 0 GBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484736 1072170132 /nfs/dbraw/zinc/17/01/32/1072170132.db2.gz UNDUABWAZAOULD-DLBZAZTESA-N 2 0 395.548 -0.072 20 0 GBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484737 1072169953 /nfs/dbraw/zinc/16/99/53/1072169953.db2.gz UNDUABWAZAOULD-IAGOWNOFSA-N 2 0 395.548 -0.072 20 0 GBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484738 1072170270 /nfs/dbraw/zinc/17/02/70/1072170270.db2.gz UNDUABWAZAOULD-IRXDYDNUSA-N 2 0 395.548 -0.072 20 0 GBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419484739 1072170020 /nfs/dbraw/zinc/17/00/20/1072170020.db2.gz UNDUABWAZAOULD-SJORKVTESA-N 2 0 395.548 -0.072 20 0 GBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419500844 1072172070 /nfs/dbraw/zinc/17/20/70/1072172070.db2.gz ALCBNISZKGYAAC-CVEARBPZSA-N 2 0 383.537 -0.123 20 0 GBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419500845 1072171954 /nfs/dbraw/zinc/17/19/54/1072171954.db2.gz ALCBNISZKGYAAC-HOTGVXAUSA-N 2 0 383.537 -0.123 20 0 GBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419500846 1072172001 /nfs/dbraw/zinc/17/20/01/1072172001.db2.gz ALCBNISZKGYAAC-HZPDHXFCSA-N 2 0 383.537 -0.123 20 0 GBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419500847 1072171991 /nfs/dbraw/zinc/17/19/91/1072171991.db2.gz ALCBNISZKGYAAC-JKSUJKDBSA-N 2 0 383.537 -0.123 20 0 GBADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+]CC2)c1 ZINC000419503009 1072173148 /nfs/dbraw/zinc/17/31/48/1072173148.db2.gz CDBDYOTWUYRLBS-UHFFFAOYSA-N 2 0 378.473 -0.308 20 0 GBADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000419507230 1072173889 /nfs/dbraw/zinc/17/38/89/1072173889.db2.gz OIFCASPFGZGOGK-INIZCTEOSA-N 2 0 378.473 -0.181 20 0 GBADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000419507231 1072174068 /nfs/dbraw/zinc/17/40/68/1072174068.db2.gz OIFCASPFGZGOGK-MRXNPFEDSA-N 2 0 378.473 -0.181 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419508823 1072174083 /nfs/dbraw/zinc/17/40/83/1072174083.db2.gz DHBIMUFLFLEVBN-BBWFWOEESA-N 2 0 395.548 -0.060 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419508825 1072174039 /nfs/dbraw/zinc/17/40/39/1072174039.db2.gz DHBIMUFLFLEVBN-GVDBMIGSSA-N 2 0 395.548 -0.060 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419508827 1072173740 /nfs/dbraw/zinc/17/37/40/1072173740.db2.gz DHBIMUFLFLEVBN-ULQDDVLXSA-N 2 0 395.548 -0.060 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419508829 1072173994 /nfs/dbraw/zinc/17/39/94/1072173994.db2.gz DHBIMUFLFLEVBN-YESZJQIVSA-N 2 0 395.548 -0.060 20 0 GBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419509273 1072173705 /nfs/dbraw/zinc/17/37/05/1072173705.db2.gz FAMSZDYWBOFLMC-CVEARBPZSA-N 2 0 381.521 -0.497 20 0 GBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)CC2)c1 ZINC000419510901 1072173935 /nfs/dbraw/zinc/17/39/35/1072173935.db2.gz HTYFDBDPUBGQSC-UHFFFAOYSA-N 2 0 391.516 -0.597 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419518991 1072175621 /nfs/dbraw/zinc/17/56/21/1072175621.db2.gz FAMSZDYWBOFLMC-HOTGVXAUSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419518992 1072176001 /nfs/dbraw/zinc/17/60/01/1072176001.db2.gz FAMSZDYWBOFLMC-HZPDHXFCSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419518993 1072175987 /nfs/dbraw/zinc/17/59/87/1072175987.db2.gz FAMSZDYWBOFLMC-JKSUJKDBSA-N 2 0 381.521 -0.497 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419519037 1072175712 /nfs/dbraw/zinc/17/57/12/1072175712.db2.gz FIUJYMATFGKSEI-BZUAXINKSA-N 2 0 381.521 -0.511 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000419519038 1072175773 /nfs/dbraw/zinc/17/57/73/1072175773.db2.gz FIUJYMATFGKSEI-OAGGEKHMSA-N 2 0 381.521 -0.511 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000419519040 1072175951 /nfs/dbraw/zinc/17/59/51/1072175951.db2.gz FIUJYMATFGKSEI-PMPSAXMXSA-N 2 0 381.521 -0.511 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519070 1072175796 /nfs/dbraw/zinc/17/57/96/1072175796.db2.gz FNJNXDQHCCAMOJ-KKUMJFAQSA-N 2 0 397.520 -0.726 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519071 1072175940 /nfs/dbraw/zinc/17/59/40/1072175940.db2.gz FNJNXDQHCCAMOJ-RRFJBIMHSA-N 2 0 397.520 -0.726 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419519072 1072175873 /nfs/dbraw/zinc/17/58/73/1072175873.db2.gz FNJNXDQHCCAMOJ-SOUVJXGZSA-N 2 0 397.520 -0.726 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419519073 1072175661 /nfs/dbraw/zinc/17/56/61/1072175661.db2.gz FNJNXDQHCCAMOJ-ZNMIVQPWSA-N 2 0 397.520 -0.726 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419519846 1072175891 /nfs/dbraw/zinc/17/58/91/1072175891.db2.gz GRWWPDHCCXMERO-HNNXBMFYSA-N 2 0 379.505 -0.743 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419519847 1072175976 /nfs/dbraw/zinc/17/59/76/1072175976.db2.gz GRWWPDHCCXMERO-OAHLLOKOSA-N 2 0 379.505 -0.743 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419520285 1072176067 /nfs/dbraw/zinc/17/60/67/1072176067.db2.gz HSQLYSFRGNBNFA-CVEARBPZSA-N 2 0 395.548 -0.060 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419520286 1072175827 /nfs/dbraw/zinc/17/58/27/1072175827.db2.gz HSQLYSFRGNBNFA-HOTGVXAUSA-N 2 0 395.548 -0.060 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419520287 1072176076 /nfs/dbraw/zinc/17/60/76/1072176076.db2.gz HSQLYSFRGNBNFA-HZPDHXFCSA-N 2 0 395.548 -0.060 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419520288 1072175927 /nfs/dbraw/zinc/17/59/27/1072175927.db2.gz HSQLYSFRGNBNFA-JKSUJKDBSA-N 2 0 395.548 -0.060 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419520891 1072175909 /nfs/dbraw/zinc/17/59/09/1072175909.db2.gz IPOCOHKQDFWKNV-DLBZAZTESA-N 2 0 389.500 -0.139 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419520892 1072175904 /nfs/dbraw/zinc/17/59/04/1072175904.db2.gz IPOCOHKQDFWKNV-IAGOWNOFSA-N 2 0 389.500 -0.139 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419520893 1072175919 /nfs/dbraw/zinc/17/59/19/1072175919.db2.gz IPOCOHKQDFWKNV-IRXDYDNUSA-N 2 0 389.500 -0.139 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419520894 1072175968 /nfs/dbraw/zinc/17/59/68/1072175968.db2.gz IPOCOHKQDFWKNV-SJORKVTESA-N 2 0 389.500 -0.139 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419520917 1072175838 /nfs/dbraw/zinc/17/58/38/1072175838.db2.gz IVFJVJXTZFHDPL-JYJNAYRXSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419520918 1072175556 /nfs/dbraw/zinc/17/55/56/1072175556.db2.gz IVFJVJXTZFHDPL-OAGGEKHMSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419520919 1072176095 /nfs/dbraw/zinc/17/60/95/1072176095.db2.gz IVFJVJXTZFHDPL-PMPSAXMXSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419520920 1072175962 /nfs/dbraw/zinc/17/59/62/1072175962.db2.gz IVFJVJXTZFHDPL-XHSDSOJGSA-N 2 0 381.521 -0.321 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419520995 1072175693 /nfs/dbraw/zinc/17/56/93/1072175693.db2.gz JKBBZGXDHNARES-DOTOQJQBSA-N 2 0 393.532 -0.306 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419520998 1072176117 /nfs/dbraw/zinc/17/61/17/1072176117.db2.gz JKBBZGXDHNARES-NVXWUHKLSA-N 2 0 393.532 -0.306 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419521196 1072176818 /nfs/dbraw/zinc/17/68/18/1072176818.db2.gz JKBBZGXDHNARES-RDJZCZTQSA-N 2 0 393.532 -0.306 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000419521197 1072177137 /nfs/dbraw/zinc/17/71/37/1072177137.db2.gz JKBBZGXDHNARES-WBVHZDCISA-N 2 0 393.532 -0.306 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419521582 1072177063 /nfs/dbraw/zinc/17/70/63/1072177063.db2.gz KLIOGZDQFCKKPM-CVEARBPZSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419521583 1072177275 /nfs/dbraw/zinc/17/72/75/1072177275.db2.gz KLIOGZDQFCKKPM-HOTGVXAUSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419521584 1072177027 /nfs/dbraw/zinc/17/70/27/1072177027.db2.gz KLIOGZDQFCKKPM-HZPDHXFCSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419521585 1072176984 /nfs/dbraw/zinc/17/69/84/1072176984.db2.gz KLIOGZDQFCKKPM-JKSUJKDBSA-N 2 0 381.521 -0.321 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419521831 1072177081 /nfs/dbraw/zinc/17/70/81/1072177081.db2.gz KVZMEMSADMWIGN-HZMVEIRTSA-N 2 0 393.532 -0.369 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419521832 1072176716 /nfs/dbraw/zinc/17/67/16/1072176716.db2.gz KVZMEMSADMWIGN-NXOAAHMSSA-N 2 0 393.532 -0.369 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419521833 1072177289 /nfs/dbraw/zinc/17/72/89/1072177289.db2.gz KVZMEMSADMWIGN-QAETUUGQSA-N 2 0 393.532 -0.369 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419521834 1072176871 /nfs/dbraw/zinc/17/68/71/1072176871.db2.gz KVZMEMSADMWIGN-YVSFHVDLSA-N 2 0 393.532 -0.369 20 0 GBADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000419522415 1072176664 /nfs/dbraw/zinc/17/66/64/1072176664.db2.gz MGFQZWMMHXWGGW-CVEARBPZSA-N 2 0 381.521 -0.354 20 0 GBADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000419522416 1072177257 /nfs/dbraw/zinc/17/72/57/1072177257.db2.gz MGFQZWMMHXWGGW-HOTGVXAUSA-N 2 0 381.521 -0.354 20 0 GBADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000419522417 1072176570 /nfs/dbraw/zinc/17/65/70/1072176570.db2.gz MGFQZWMMHXWGGW-HZPDHXFCSA-N 2 0 381.521 -0.354 20 0 GBADRP CCCN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000419522418 1072176599 /nfs/dbraw/zinc/17/65/99/1072176599.db2.gz MGFQZWMMHXWGGW-JKSUJKDBSA-N 2 0 381.521 -0.354 20 0 GBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522691 1072177128 /nfs/dbraw/zinc/17/71/28/1072177128.db2.gz NFLORULIRXBLLF-CHWSQXEVSA-N 2 0 381.443 -0.215 20 0 GBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522694 1072176683 /nfs/dbraw/zinc/17/66/83/1072176683.db2.gz NFLORULIRXBLLF-OLZOCXBDSA-N 2 0 381.443 -0.215 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522698 1072177011 /nfs/dbraw/zinc/17/70/11/1072177011.db2.gz NFLORULIRXBLLF-QWHCGFSZSA-N 2 0 381.443 -0.215 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419522701 1072177073 /nfs/dbraw/zinc/17/70/73/1072177073.db2.gz NFLORULIRXBLLF-STQMWFEESA-N 2 0 381.443 -0.215 20 0 GBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419524508 1072176965 /nfs/dbraw/zinc/17/69/65/1072176965.db2.gz PWQSAJILWUJDME-ARFHVFGLSA-N 2 0 381.521 -0.226 20 0 GBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419524509 1072177173 /nfs/dbraw/zinc/17/71/73/1072177173.db2.gz PWQSAJILWUJDME-HRCADAONSA-N 2 0 381.521 -0.226 20 0 GBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419524510 1072176943 /nfs/dbraw/zinc/17/69/43/1072176943.db2.gz PWQSAJILWUJDME-JYJNAYRXSA-N 2 0 381.521 -0.226 20 0 GBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419524511 1072177052 /nfs/dbraw/zinc/17/70/52/1072177052.db2.gz PWQSAJILWUJDME-XHSDSOJGSA-N 2 0 381.521 -0.226 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419525582 1072176740 /nfs/dbraw/zinc/17/67/40/1072176740.db2.gz RNWRELNUHPRGJR-CYBMUJFWSA-N 2 0 379.427 -0.461 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419525583 1072176892 /nfs/dbraw/zinc/17/68/92/1072176892.db2.gz RNWRELNUHPRGJR-ZDUSSCGKSA-N 2 0 379.427 -0.461 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419526149 1072177221 /nfs/dbraw/zinc/17/72/21/1072177221.db2.gz SPFQODRYDCLJRU-OWCLPIDISA-N 2 0 379.505 -0.602 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419526150 1072176832 /nfs/dbraw/zinc/17/68/32/1072176832.db2.gz SPFQODRYDCLJRU-XHSDSOJGSA-N 2 0 379.505 -0.602 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419526151 1072176912 /nfs/dbraw/zinc/17/69/12/1072176912.db2.gz SPPALSBULBIBIJ-HNNXBMFYSA-N 2 0 381.521 -0.177 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419526152 1072177309 /nfs/dbraw/zinc/17/73/09/1072177309.db2.gz SPPALSBULBIBIJ-OAHLLOKOSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C[NH3+] ZINC000419528492 1072174768 /nfs/dbraw/zinc/17/47/68/1072174768.db2.gz WBRLIXRJRDNGTA-BZUAXINKSA-N 2 0 381.521 -0.369 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C[NH3+] ZINC000419528493 1072175097 /nfs/dbraw/zinc/17/50/97/1072175097.db2.gz WBRLIXRJRDNGTA-OAGGEKHMSA-N 2 0 381.521 -0.369 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C[NH3+] ZINC000419528494 1072174597 /nfs/dbraw/zinc/17/45/97/1072174597.db2.gz WBRLIXRJRDNGTA-OWCLPIDISA-N 2 0 381.521 -0.369 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C[NH3+] ZINC000419528495 1072174704 /nfs/dbraw/zinc/17/47/04/1072174704.db2.gz WBRLIXRJRDNGTA-PMPSAXMXSA-N 2 0 381.521 -0.369 20 0 GBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419529017 1072174657 /nfs/dbraw/zinc/17/46/57/1072174657.db2.gz XHKVQLTZVATPDC-CVEARBPZSA-N 2 0 381.521 -0.354 20 0 GBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000419529020 1072174516 /nfs/dbraw/zinc/17/45/16/1072174516.db2.gz XHKVQLTZVATPDC-HOTGVXAUSA-N 2 0 381.521 -0.354 20 0 GBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419529022 1072174711 /nfs/dbraw/zinc/17/47/11/1072174711.db2.gz XHKVQLTZVATPDC-HZPDHXFCSA-N 2 0 381.521 -0.354 20 0 GBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000419529023 1072174976 /nfs/dbraw/zinc/17/49/76/1072174976.db2.gz XHKVQLTZVATPDC-JKSUJKDBSA-N 2 0 381.521 -0.354 20 0 GBADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000419529721 1072175075 /nfs/dbraw/zinc/17/50/75/1072175075.db2.gz DIZVQQBUYKWWDX-BZSNNMDCSA-N 2 0 392.500 -0.397 20 0 GBADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000419529722 1072175114 /nfs/dbraw/zinc/17/51/14/1072175114.db2.gz DIZVQQBUYKWWDX-SQNIBIBYSA-N 2 0 392.500 -0.397 20 0 GBADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419532029 1072174758 /nfs/dbraw/zinc/17/47/58/1072174758.db2.gz GPTBACSAGYJDMI-MSOLQXFVSA-N 2 0 392.500 -0.002 20 0 GBADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419532030 1072175123 /nfs/dbraw/zinc/17/51/23/1072175123.db2.gz GPTBACSAGYJDMI-QZTJIDSGSA-N 2 0 392.500 -0.002 20 0 GBADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419532031 1072174619 /nfs/dbraw/zinc/17/46/19/1072174619.db2.gz GPTBACSAGYJDMI-ROUUACIJSA-N 2 0 392.500 -0.002 20 0 GBADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419532032 1072174800 /nfs/dbraw/zinc/17/48/00/1072174800.db2.gz GPTBACSAGYJDMI-ZWKOTPCHSA-N 2 0 392.500 -0.002 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000419550982 1072179397 /nfs/dbraw/zinc/17/93/97/1072179397.db2.gz VNQSVBWIGRNDLZ-CVEARBPZSA-N 2 0 395.548 -0.251 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000419551004 1072179755 /nfs/dbraw/zinc/17/97/55/1072179755.db2.gz VNQSVBWIGRNDLZ-HOTGVXAUSA-N 2 0 395.548 -0.251 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000419551005 1072179809 /nfs/dbraw/zinc/17/98/09/1072179809.db2.gz VNQSVBWIGRNDLZ-HZPDHXFCSA-N 2 0 395.548 -0.251 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)(C)C[NH+](C)C ZINC000419551006 1072179764 /nfs/dbraw/zinc/17/97/64/1072179764.db2.gz VNQSVBWIGRNDLZ-JKSUJKDBSA-N 2 0 395.548 -0.251 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419551922 1072179479 /nfs/dbraw/zinc/17/94/79/1072179479.db2.gz YDHZUTWZBCAGDN-CVEARBPZSA-N 2 0 397.520 -0.941 20 0 GBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419551923 1072179533 /nfs/dbraw/zinc/17/95/33/1072179533.db2.gz YDHZUTWZBCAGDN-HOTGVXAUSA-N 2 0 397.520 -0.941 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419551924 1072179740 /nfs/dbraw/zinc/17/97/40/1072179740.db2.gz YDHZUTWZBCAGDN-HZPDHXFCSA-N 2 0 397.520 -0.941 20 0 GBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419551925 1072179823 /nfs/dbraw/zinc/17/98/23/1072179823.db2.gz YDHZUTWZBCAGDN-JKSUJKDBSA-N 2 0 397.520 -0.941 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419553587 1072180405 /nfs/dbraw/zinc/18/04/05/1072180405.db2.gz YXFSZSTYJIZUBN-CABCVRRESA-N 2 0 383.537 -0.075 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419553588 1072180755 /nfs/dbraw/zinc/18/07/55/1072180755.db2.gz YXFSZSTYJIZUBN-GJZGRUSLSA-N 2 0 383.537 -0.075 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419553589 1072180448 /nfs/dbraw/zinc/18/04/48/1072180448.db2.gz YXFSZSTYJIZUBN-HUUCEWRRSA-N 2 0 383.537 -0.075 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000419553590 1072180486 /nfs/dbraw/zinc/18/04/86/1072180486.db2.gz YXFSZSTYJIZUBN-LSDHHAIUSA-N 2 0 383.537 -0.075 20 0 GBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419563699 1072182248 /nfs/dbraw/zinc/18/22/48/1072182248.db2.gz WPEUDXREECZUQB-BZUAXINKSA-N 2 0 379.505 -0.744 20 0 GBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419563700 1072182135 /nfs/dbraw/zinc/18/21/35/1072182135.db2.gz WPEUDXREECZUQB-OAGGEKHMSA-N 2 0 379.505 -0.744 20 0 GBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419563701 1072182167 /nfs/dbraw/zinc/18/21/67/1072182167.db2.gz WPEUDXREECZUQB-OWCLPIDISA-N 2 0 379.505 -0.744 20 0 GBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419563702 1072182322 /nfs/dbraw/zinc/18/23/22/1072182322.db2.gz WPEUDXREECZUQB-PMPSAXMXSA-N 2 0 379.505 -0.744 20 0 GBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000419566002 1072182340 /nfs/dbraw/zinc/18/23/40/1072182340.db2.gz ZIMVGCQOZPPOJB-AGIUHOORSA-N 2 0 379.427 -0.462 20 0 GBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000419566003 1072182286 /nfs/dbraw/zinc/18/22/86/1072182286.db2.gz ZIMVGCQOZPPOJB-FRRDWIJNSA-N 2 0 379.427 -0.462 20 0 GBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000419566004 1072182300 /nfs/dbraw/zinc/18/23/00/1072182300.db2.gz ZIMVGCQOZPPOJB-JHJVBQTASA-N 2 0 379.427 -0.462 20 0 GBADRP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[N@@H+]1C ZINC000419566005 1072182058 /nfs/dbraw/zinc/18/20/58/1072182058.db2.gz ZIMVGCQOZPPOJB-UPJWGTAASA-N 2 0 379.427 -0.462 20 0 GBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583414 1072181213 /nfs/dbraw/zinc/18/12/13/1072181213.db2.gz LCWWLLVFBWIUIC-KBXCAEBGSA-N 2 0 399.561 -0.614 20 0 GBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583421 1072181545 /nfs/dbraw/zinc/18/15/45/1072181545.db2.gz LCWWLLVFBWIUIC-KDOFPFPSSA-N 2 0 399.561 -0.614 20 0 GBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583423 1072181369 /nfs/dbraw/zinc/18/13/69/1072181369.db2.gz LCWWLLVFBWIUIC-KSSFIOAISA-N 2 0 399.561 -0.614 20 0 GBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000419583425 1072181150 /nfs/dbraw/zinc/18/11/50/1072181150.db2.gz LCWWLLVFBWIUIC-RDTXWAMCSA-N 2 0 399.561 -0.614 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000419587113 1072183864 /nfs/dbraw/zinc/18/38/64/1072183864.db2.gz NGWREDDNCSGEKE-AAEUAGOBSA-N 2 0 379.427 -0.462 20 0 GBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000419587115 1072184008 /nfs/dbraw/zinc/18/40/08/1072184008.db2.gz NGWREDDNCSGEKE-DGCLKSJQSA-N 2 0 379.427 -0.462 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000419587116 1072183561 /nfs/dbraw/zinc/18/35/61/1072183561.db2.gz NGWREDDNCSGEKE-WCQYABFASA-N 2 0 379.427 -0.462 20 0 GBADRP C[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000419587117 1072184176 /nfs/dbraw/zinc/18/41/76/1072184176.db2.gz NGWREDDNCSGEKE-YPMHNXCESA-N 2 0 379.427 -0.462 20 0 GBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596144 1072184979 /nfs/dbraw/zinc/18/49/79/1072184979.db2.gz XTZYPOSMGAJXBG-DLBZAZTESA-N 2 0 393.532 -0.353 20 0 GBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596145 1072184659 /nfs/dbraw/zinc/18/46/59/1072184659.db2.gz XTZYPOSMGAJXBG-IAGOWNOFSA-N 2 0 393.532 -0.353 20 0 GBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596146 1072184721 /nfs/dbraw/zinc/18/47/21/1072184721.db2.gz XTZYPOSMGAJXBG-IRXDYDNUSA-N 2 0 393.532 -0.353 20 0 GBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419596147 1072184901 /nfs/dbraw/zinc/18/49/01/1072184901.db2.gz XTZYPOSMGAJXBG-SJORKVTESA-N 2 0 393.532 -0.353 20 0 GBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596423 1072184953 /nfs/dbraw/zinc/18/49/53/1072184953.db2.gz YJMCUMFGXXBVJE-KBPBESRZSA-N 2 0 393.454 -0.071 20 0 GBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596424 1072184582 /nfs/dbraw/zinc/18/45/82/1072184582.db2.gz YJMCUMFGXXBVJE-KGLIPLIRSA-N 2 0 393.454 -0.071 20 0 GBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596425 1072184680 /nfs/dbraw/zinc/18/46/80/1072184680.db2.gz YJMCUMFGXXBVJE-UONOGXRCSA-N 2 0 393.454 -0.071 20 0 GBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419596426 1072184631 /nfs/dbraw/zinc/18/46/31/1072184631.db2.gz YJMCUMFGXXBVJE-ZIAGYGMSSA-N 2 0 393.454 -0.071 20 0 GBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419596690 1072184164 /nfs/dbraw/zinc/18/41/64/1072184164.db2.gz YPVCEIFIVJLNKP-CVEARBPZSA-N 2 0 381.521 -0.177 20 0 GBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419596691 1072184128 /nfs/dbraw/zinc/18/41/28/1072184128.db2.gz YPVCEIFIVJLNKP-HOTGVXAUSA-N 2 0 381.521 -0.177 20 0 GBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419596693 1072184620 /nfs/dbraw/zinc/18/46/20/1072184620.db2.gz YPVCEIFIVJLNKP-HZPDHXFCSA-N 2 0 381.521 -0.177 20 0 GBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419596694 1072184693 /nfs/dbraw/zinc/18/46/93/1072184693.db2.gz YPVCEIFIVJLNKP-JKSUJKDBSA-N 2 0 381.521 -0.177 20 0 GBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419647315 1072187516 /nfs/dbraw/zinc/18/75/16/1072187516.db2.gz ALWQXSLFCBGDKD-KRWDZBQOSA-N 2 0 378.473 -0.528 20 0 GBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419647317 1072187200 /nfs/dbraw/zinc/18/72/00/1072187200.db2.gz ALWQXSLFCBGDKD-QGZVFWFLSA-N 2 0 378.473 -0.528 20 0 GBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000419651962 1072187570 /nfs/dbraw/zinc/18/75/70/1072187570.db2.gz WSNJRPUAGRDCMC-KRWDZBQOSA-N 2 0 389.500 -0.322 20 0 GBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000419651967 1072187595 /nfs/dbraw/zinc/18/75/95/1072187595.db2.gz WSNJRPUAGRDCMC-QGZVFWFLSA-N 2 0 389.500 -0.322 20 0 GBADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419652362 1072186508 /nfs/dbraw/zinc/18/65/08/1072186508.db2.gz DXKYVWDXFGAGPB-KRWDZBQOSA-N 2 0 378.473 -0.181 20 0 GBADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419652363 1072186461 /nfs/dbraw/zinc/18/64/61/1072186461.db2.gz DXKYVWDXFGAGPB-QGZVFWFLSA-N 2 0 378.473 -0.181 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]CC3)c2)C1 ZINC000419657181 1072186442 /nfs/dbraw/zinc/18/64/42/1072186442.db2.gz JDVHJPWRCIUNBD-KRWDZBQOSA-N 2 0 387.484 -0.568 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]CC3)c2)C1 ZINC000419657182 1072186478 /nfs/dbraw/zinc/18/64/78/1072186478.db2.gz JDVHJPWRCIUNBD-QGZVFWFLSA-N 2 0 387.484 -0.568 20 0 GBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000419663574 1072188188 /nfs/dbraw/zinc/18/81/88/1072188188.db2.gz KGRZNEZQAIJDJZ-INIZCTEOSA-N 2 0 383.537 -0.075 20 0 GBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000419663575 1072188447 /nfs/dbraw/zinc/18/84/47/1072188447.db2.gz KGRZNEZQAIJDJZ-MRXNPFEDSA-N 2 0 383.537 -0.075 20 0 GBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000419666507 1072188222 /nfs/dbraw/zinc/18/82/22/1072188222.db2.gz QTDMLOYDTUHJNZ-HNNXBMFYSA-N 2 0 381.521 -0.462 20 0 GBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C[NH+]1CCCC1 ZINC000419666513 1072188487 /nfs/dbraw/zinc/18/84/87/1072188487.db2.gz QTDMLOYDTUHJNZ-OAHLLOKOSA-N 2 0 381.521 -0.462 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686532 1072192479 /nfs/dbraw/zinc/19/24/79/1072192479.db2.gz OMXGTKNSCOYUMA-CABCVRRESA-N 2 0 382.505 -0.023 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686537 1072192011 /nfs/dbraw/zinc/19/20/11/1072192011.db2.gz OMXGTKNSCOYUMA-GJZGRUSLSA-N 2 0 382.505 -0.023 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686539 1072192380 /nfs/dbraw/zinc/19/23/80/1072192380.db2.gz OMXGTKNSCOYUMA-HUUCEWRRSA-N 2 0 382.505 -0.023 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686542 1072192049 /nfs/dbraw/zinc/19/20/49/1072192049.db2.gz OMXGTKNSCOYUMA-LSDHHAIUSA-N 2 0 382.505 -0.023 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000419690480 1072192055 /nfs/dbraw/zinc/19/20/55/1072192055.db2.gz CJNKBDNHBAJTLL-INIZCTEOSA-N 2 0 393.532 -0.353 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000419690481 1072192164 /nfs/dbraw/zinc/19/21/64/1072192164.db2.gz CJNKBDNHBAJTLL-MRXNPFEDSA-N 2 0 393.532 -0.353 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691589 1072192326 /nfs/dbraw/zinc/19/23/26/1072192326.db2.gz MNPJQBYYXSBAKX-HNNXBMFYSA-N 2 0 384.546 -0.041 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419691592 1072192414 /nfs/dbraw/zinc/19/24/14/1072192414.db2.gz MNPJQBYYXSBAKX-OAHLLOKOSA-N 2 0 384.546 -0.041 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000419692806 1072192105 /nfs/dbraw/zinc/19/21/05/1072192105.db2.gz HOVQQLNPWITESS-AWEZNQCLSA-N 2 0 393.454 -0.071 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000419692807 1072191978 /nfs/dbraw/zinc/19/19/78/1072191978.db2.gz HOVQQLNPWITESS-CQSZACIVSA-N 2 0 393.454 -0.071 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419696218 1072192292 /nfs/dbraw/zinc/19/22/92/1072192292.db2.gz NWNPSDWOHFFSPI-DOTOQJQBSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419696219 1072191989 /nfs/dbraw/zinc/19/19/89/1072191989.db2.gz NWNPSDWOHFFSPI-NVXWUHKLSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419696220 1072192296 /nfs/dbraw/zinc/19/22/96/1072192296.db2.gz NWNPSDWOHFFSPI-RDJZCZTQSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419696221 1072193305 /nfs/dbraw/zinc/19/33/05/1072193305.db2.gz NWNPSDWOHFFSPI-WBVHZDCISA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419698423 1072192965 /nfs/dbraw/zinc/19/29/65/1072192965.db2.gz SKIJZRXBGONCAE-CABCVRRESA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419698424 1072193149 /nfs/dbraw/zinc/19/31/49/1072193149.db2.gz SKIJZRXBGONCAE-GJZGRUSLSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419698425 1072193242 /nfs/dbraw/zinc/19/32/42/1072193242.db2.gz SKIJZRXBGONCAE-HUUCEWRRSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000419698426 1072193219 /nfs/dbraw/zinc/19/32/19/1072193219.db2.gz SKIJZRXBGONCAE-LSDHHAIUSA-N 2 0 379.505 -0.567 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419698747 1072193156 /nfs/dbraw/zinc/19/31/56/1072193156.db2.gz ZVEWBUQHPUMDLK-UHFFFAOYSA-N 2 0 383.562 -0.514 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000419699278 1072192909 /nfs/dbraw/zinc/19/29/09/1072192909.db2.gz WAJGEPZFAXJLRM-INIZCTEOSA-N 2 0 381.521 -0.177 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCC1 ZINC000419699279 1072193076 /nfs/dbraw/zinc/19/30/76/1072193076.db2.gz WAJGEPZFAXJLRM-MRXNPFEDSA-N 2 0 381.521 -0.177 20 0 GBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419702535 1072190526 /nfs/dbraw/zinc/19/05/26/1072190526.db2.gz VCXMZEVFUGGDAW-DLBZAZTESA-N 2 0 395.548 -0.073 20 0 GBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419702536 1072190173 /nfs/dbraw/zinc/19/01/73/1072190173.db2.gz VCXMZEVFUGGDAW-IAGOWNOFSA-N 2 0 395.548 -0.073 20 0 GBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419702537 1072190348 /nfs/dbraw/zinc/19/03/48/1072190348.db2.gz VCXMZEVFUGGDAW-IRXDYDNUSA-N 2 0 395.548 -0.073 20 0 GBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419702538 1072190664 /nfs/dbraw/zinc/19/06/64/1072190664.db2.gz VCXMZEVFUGGDAW-SJORKVTESA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@H](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000419715578 1072194653 /nfs/dbraw/zinc/19/46/53/1072194653.db2.gz PKBVHMXZASWWEA-CVEARBPZSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000419715581 1072194698 /nfs/dbraw/zinc/19/46/98/1072194698.db2.gz PKBVHMXZASWWEA-HOTGVXAUSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000419715584 1072194765 /nfs/dbraw/zinc/19/47/65/1072194765.db2.gz PKBVHMXZASWWEA-HZPDHXFCSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCCCC1 ZINC000419715587 1072195824 /nfs/dbraw/zinc/19/58/24/1072195824.db2.gz PKBVHMXZASWWEA-JKSUJKDBSA-N 2 0 381.521 -0.319 20 0 GBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419731293 1072194165 /nfs/dbraw/zinc/19/41/65/1072194165.db2.gz QYGYIUIJBPZTQG-JLJPHGGASA-N 2 0 378.448 -0.084 20 0 GBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419731295 1072193993 /nfs/dbraw/zinc/19/39/93/1072193993.db2.gz QYGYIUIJBPZTQG-UKPHBRMFSA-N 2 0 378.448 -0.084 20 0 GBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419737402 1072198573 /nfs/dbraw/zinc/19/85/73/1072198573.db2.gz TYLLMJKKHBAYKG-CVEARBPZSA-N 2 0 381.521 -0.449 20 0 GBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419737404 1072198352 /nfs/dbraw/zinc/19/83/52/1072198352.db2.gz TYLLMJKKHBAYKG-HOTGVXAUSA-N 2 0 381.521 -0.449 20 0 GBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419737406 1072198459 /nfs/dbraw/zinc/19/84/59/1072198459.db2.gz TYLLMJKKHBAYKG-HZPDHXFCSA-N 2 0 381.521 -0.449 20 0 GBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419737408 1072198326 /nfs/dbraw/zinc/19/83/26/1072198326.db2.gz TYLLMJKKHBAYKG-JKSUJKDBSA-N 2 0 381.521 -0.449 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419738012 1072198595 /nfs/dbraw/zinc/19/85/95/1072198595.db2.gz UNERAEMDRSBZAU-GDBMZVCRSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419738013 1072198535 /nfs/dbraw/zinc/19/85/35/1072198535.db2.gz UNERAEMDRSBZAU-GOEBONIOSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419738015 1072198206 /nfs/dbraw/zinc/19/82/06/1072198206.db2.gz UNERAEMDRSBZAU-HOCLYGCPSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000419738018 1072198642 /nfs/dbraw/zinc/19/86/42/1072198642.db2.gz UNERAEMDRSBZAU-ZBFHGGJFSA-N 2 0 379.505 -0.567 20 0 GBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419738656 1072198333 /nfs/dbraw/zinc/19/83/33/1072198333.db2.gz ZDYDEHZBATUSJR-IXDOHACOSA-N 2 0 378.448 -0.084 20 0 GBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419738658 1072198171 /nfs/dbraw/zinc/19/81/71/1072198171.db2.gz ZDYDEHZBATUSJR-YESZJQIVSA-N 2 0 378.448 -0.084 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419740317 1072196424 /nfs/dbraw/zinc/19/64/24/1072196424.db2.gz XHRBGDKNPYXCTM-DLBZAZTESA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419740318 1072196892 /nfs/dbraw/zinc/19/68/92/1072196892.db2.gz XHRBGDKNPYXCTM-IAGOWNOFSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419740320 1072196390 /nfs/dbraw/zinc/19/63/90/1072196390.db2.gz XHRBGDKNPYXCTM-IRXDYDNUSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419740321 1072196664 /nfs/dbraw/zinc/19/66/64/1072196664.db2.gz XHRBGDKNPYXCTM-SJORKVTESA-N 2 0 393.532 -0.034 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419769765 1072200021 /nfs/dbraw/zinc/20/00/21/1072200021.db2.gz VYXOFICHRYCXBB-DLBZAZTESA-N 2 0 395.548 -0.059 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419769768 1072199949 /nfs/dbraw/zinc/19/99/49/1072199949.db2.gz VYXOFICHRYCXBB-IAGOWNOFSA-N 2 0 395.548 -0.059 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419769770 1072200504 /nfs/dbraw/zinc/20/05/04/1072200504.db2.gz VYXOFICHRYCXBB-IRXDYDNUSA-N 2 0 395.548 -0.059 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419769773 1072199961 /nfs/dbraw/zinc/19/99/61/1072199961.db2.gz VYXOFICHRYCXBB-SJORKVTESA-N 2 0 395.548 -0.059 20 0 GBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419769904 1072200170 /nfs/dbraw/zinc/20/01/70/1072200170.db2.gz DVBWBDNLIIWLGK-CABCVRRESA-N 2 0 381.521 -0.464 20 0 GBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419769906 1072200230 /nfs/dbraw/zinc/20/02/30/1072200230.db2.gz DVBWBDNLIIWLGK-GJZGRUSLSA-N 2 0 381.521 -0.464 20 0 GBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419769907 1072199903 /nfs/dbraw/zinc/19/99/03/1072199903.db2.gz DVBWBDNLIIWLGK-HUUCEWRRSA-N 2 0 381.521 -0.464 20 0 GBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419769909 1072200412 /nfs/dbraw/zinc/20/04/12/1072200412.db2.gz DVBWBDNLIIWLGK-LSDHHAIUSA-N 2 0 381.521 -0.464 20 0 GBADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000419771788 1072199981 /nfs/dbraw/zinc/19/99/81/1072199981.db2.gz HGJZKKVYRSZHRA-MSOLQXFVSA-N 2 0 392.500 -0.049 20 0 GBADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000419771790 1072201034 /nfs/dbraw/zinc/20/10/34/1072201034.db2.gz HGJZKKVYRSZHRA-QZTJIDSGSA-N 2 0 392.500 -0.049 20 0 GBADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000419771792 1072201257 /nfs/dbraw/zinc/20/12/57/1072201257.db2.gz HGJZKKVYRSZHRA-ROUUACIJSA-N 2 0 392.500 -0.049 20 0 GBADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCOCC[NH+](C)C)cc1 ZINC000419771794 1072200950 /nfs/dbraw/zinc/20/09/50/1072200950.db2.gz HGJZKKVYRSZHRA-ZWKOTPCHSA-N 2 0 392.500 -0.049 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419772701 1072200891 /nfs/dbraw/zinc/20/08/91/1072200891.db2.gz GIZLASYPINPSFV-BRWVUGGUSA-N 2 0 395.548 -0.060 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419772705 1072201206 /nfs/dbraw/zinc/20/12/06/1072201206.db2.gz GIZLASYPINPSFV-IKGGRYGDSA-N 2 0 395.548 -0.060 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000419772708 1072201088 /nfs/dbraw/zinc/20/10/88/1072201088.db2.gz GIZLASYPINPSFV-IXDOHACOSA-N 2 0 395.548 -0.060 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000419772711 1072201112 /nfs/dbraw/zinc/20/11/12/1072201112.db2.gz GIZLASYPINPSFV-ZACQAIPSSA-N 2 0 395.548 -0.060 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419773457 1072200913 /nfs/dbraw/zinc/20/09/13/1072200913.db2.gz ZNLHDAQNXVFTKD-INIZCTEOSA-N 2 0 381.521 -0.495 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419773460 1072201185 /nfs/dbraw/zinc/20/11/85/1072201185.db2.gz ZNLHDAQNXVFTKD-MRXNPFEDSA-N 2 0 381.521 -0.495 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419773612 1072200969 /nfs/dbraw/zinc/20/09/69/1072200969.db2.gz HGCQOXMRPHPZEU-CVEARBPZSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419773619 1072201024 /nfs/dbraw/zinc/20/10/24/1072201024.db2.gz HGCQOXMRPHPZEU-HZPDHXFCSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419785238 1072203263 /nfs/dbraw/zinc/20/32/63/1072203263.db2.gz SEASNQYWJILOLC-CHWSQXEVSA-N 2 0 381.443 -0.215 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419785239 1072203244 /nfs/dbraw/zinc/20/32/44/1072203244.db2.gz SEASNQYWJILOLC-OLZOCXBDSA-N 2 0 381.443 -0.215 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419795697 1072202111 /nfs/dbraw/zinc/20/21/11/1072202111.db2.gz LCSCVGNPNVMPQS-DLBZAZTESA-N 2 0 389.500 -0.281 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419795698 1072201702 /nfs/dbraw/zinc/20/17/02/1072201702.db2.gz LCSCVGNPNVMPQS-IAGOWNOFSA-N 2 0 389.500 -0.281 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419795699 1072201712 /nfs/dbraw/zinc/20/17/12/1072201712.db2.gz LCSCVGNPNVMPQS-IRXDYDNUSA-N 2 0 389.500 -0.281 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419795700 1072201792 /nfs/dbraw/zinc/20/17/92/1072201792.db2.gz LCSCVGNPNVMPQS-SJORKVTESA-N 2 0 389.500 -0.281 20 0 GBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000419796101 1072202142 /nfs/dbraw/zinc/20/21/42/1072202142.db2.gz MTIHWJRKRBQVJD-KRWDZBQOSA-N 2 0 395.548 -0.108 20 0 GBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000419796102 1072201841 /nfs/dbraw/zinc/20/18/41/1072201841.db2.gz MTIHWJRKRBQVJD-QGZVFWFLSA-N 2 0 395.548 -0.108 20 0 GBADRP COc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)cc1 ZINC000419800461 1072202798 /nfs/dbraw/zinc/20/27/98/1072202798.db2.gz AHWQGCNSXUVDDI-KRWDZBQOSA-N 2 0 378.473 -0.272 20 0 GBADRP COc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCC2)cc1 ZINC000419800462 1072203080 /nfs/dbraw/zinc/20/30/80/1072203080.db2.gz AHWQGCNSXUVDDI-QGZVFWFLSA-N 2 0 378.473 -0.272 20 0 GBADRP [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCCC1 ZINC000419812336 1072206574 /nfs/dbraw/zinc/20/65/74/1072206574.db2.gz ZNRQONBEVDTGDC-UHFFFAOYSA-N 2 0 379.505 -0.469 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000419817525 1072203970 /nfs/dbraw/zinc/20/39/70/1072203970.db2.gz ITIYYNRKMPAFIG-DLBZAZTESA-N 2 0 393.532 -0.495 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000419817527 1072204101 /nfs/dbraw/zinc/20/41/01/1072204101.db2.gz ITIYYNRKMPAFIG-IAGOWNOFSA-N 2 0 393.532 -0.495 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000419817528 1072203912 /nfs/dbraw/zinc/20/39/12/1072203912.db2.gz ITIYYNRKMPAFIG-IRXDYDNUSA-N 2 0 393.532 -0.495 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C[NH+]1CCCC1 ZINC000419817530 1072203847 /nfs/dbraw/zinc/20/38/47/1072203847.db2.gz ITIYYNRKMPAFIG-SJORKVTESA-N 2 0 393.532 -0.495 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419824306 1072205004 /nfs/dbraw/zinc/20/50/04/1072205004.db2.gz MPGQPBKIQDLEBX-BZUAXINKSA-N 2 0 383.537 -0.395 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419824310 1072205018 /nfs/dbraw/zinc/20/50/18/1072205018.db2.gz MPGQPBKIQDLEBX-OAGGEKHMSA-N 2 0 383.537 -0.395 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419824313 1072204749 /nfs/dbraw/zinc/20/47/49/1072204749.db2.gz MPGQPBKIQDLEBX-OWCLPIDISA-N 2 0 383.537 -0.395 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419824316 1072204985 /nfs/dbraw/zinc/20/49/85/1072204985.db2.gz MPGQPBKIQDLEBX-PMPSAXMXSA-N 2 0 383.537 -0.395 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419824520 1072204618 /nfs/dbraw/zinc/20/46/18/1072204618.db2.gz TZPDQPWOFAZSPP-UHFFFAOYSA-N 2 0 381.521 -0.223 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419830572 1072208903 /nfs/dbraw/zinc/20/89/03/1072208903.db2.gz QNQLZKQROZQUBN-IHRRRGAJSA-N 2 0 391.438 -0.318 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419830574 1072208769 /nfs/dbraw/zinc/20/87/69/1072208769.db2.gz QNQLZKQROZQUBN-MCIONIFRSA-N 2 0 391.438 -0.318 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419830576 1072208551 /nfs/dbraw/zinc/20/85/51/1072208551.db2.gz QNQLZKQROZQUBN-MJBXVCDLSA-N 2 0 391.438 -0.318 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419830578 1072208977 /nfs/dbraw/zinc/20/89/77/1072208977.db2.gz QNQLZKQROZQUBN-RDBSUJKOSA-N 2 0 391.438 -0.318 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCCC1 ZINC000419831223 1072208470 /nfs/dbraw/zinc/20/84/70/1072208470.db2.gz WRTRJZMPSPDAKM-HNNXBMFYSA-N 2 0 381.521 -0.319 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCCC1 ZINC000419831225 1072208865 /nfs/dbraw/zinc/20/88/65/1072208865.db2.gz WRTRJZMPSPDAKM-OAHLLOKOSA-N 2 0 381.521 -0.319 20 0 GBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000419833423 1072209548 /nfs/dbraw/zinc/20/95/48/1072209548.db2.gz LPAGPNCUPLMBMY-KRWDZBQOSA-N 2 0 388.516 -0.093 20 0 GBADRP [NH3+]CCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000419833424 1072209656 /nfs/dbraw/zinc/20/96/56/1072209656.db2.gz LPAGPNCUPLMBMY-QGZVFWFLSA-N 2 0 388.516 -0.093 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419834961 1072209604 /nfs/dbraw/zinc/20/96/04/1072209604.db2.gz UPJSUJYLSLXIRR-ARFHVFGLSA-N 2 0 379.505 -0.425 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419834962 1072209528 /nfs/dbraw/zinc/20/95/28/1072209528.db2.gz UPJSUJYLSLXIRR-HRCADAONSA-N 2 0 379.505 -0.425 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419834963 1072209301 /nfs/dbraw/zinc/20/93/01/1072209301.db2.gz UPJSUJYLSLXIRR-JYJNAYRXSA-N 2 0 379.505 -0.425 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419834964 1072209495 /nfs/dbraw/zinc/20/94/95/1072209495.db2.gz UPJSUJYLSLXIRR-XHSDSOJGSA-N 2 0 379.505 -0.425 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000419838599 1072211299 /nfs/dbraw/zinc/21/12/99/1072211299.db2.gz XVOMZBKXCBJGNU-CVEARBPZSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000419838600 1072211087 /nfs/dbraw/zinc/21/10/87/1072211087.db2.gz XVOMZBKXCBJGNU-HOTGVXAUSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000419838601 1072211113 /nfs/dbraw/zinc/21/11/13/1072211113.db2.gz XVOMZBKXCBJGNU-HZPDHXFCSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000419838602 1072210979 /nfs/dbraw/zinc/21/09/79/1072210979.db2.gz XVOMZBKXCBJGNU-JKSUJKDBSA-N 2 0 381.521 -0.319 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000419838919 1072210938 /nfs/dbraw/zinc/21/09/38/1072210938.db2.gz YGIAONPVDYCFQD-KBPBESRZSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@H](CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000419838920 1072211274 /nfs/dbraw/zinc/21/12/74/1072211274.db2.gz YGIAONPVDYCFQD-KGLIPLIRSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000419838921 1072210879 /nfs/dbraw/zinc/21/08/79/1072210879.db2.gz YGIAONPVDYCFQD-UONOGXRCSA-N 2 0 393.454 -0.213 20 0 GBADRP C[C@H](CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCCC1 ZINC000419838922 1072211266 /nfs/dbraw/zinc/21/12/66/1072211266.db2.gz YGIAONPVDYCFQD-ZIAGYGMSSA-N 2 0 393.454 -0.213 20 0 GBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419839405 1072211017 /nfs/dbraw/zinc/21/10/17/1072211017.db2.gz AYRNHEVOQYPKKG-UHFFFAOYSA-N 2 0 375.517 -0.012 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000419840793 1072212076 /nfs/dbraw/zinc/21/20/76/1072212076.db2.gz ZMPMYIDAGXGSSX-KRWDZBQOSA-N 2 0 375.517 -0.026 20 0 GBADRP C[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000419840794 1072211964 /nfs/dbraw/zinc/21/19/64/1072211964.db2.gz ZMPMYIDAGXGSSX-QGZVFWFLSA-N 2 0 375.517 -0.026 20 0 GBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419842742 1072211926 /nfs/dbraw/zinc/21/19/26/1072211926.db2.gz WMCKCCJQUSQEIM-UHFFFAOYSA-N 2 0 377.489 -0.259 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000419846715 1072207209 /nfs/dbraw/zinc/20/72/09/1072207209.db2.gz AHJDXQYHFYDFND-KRWDZBQOSA-N 2 0 379.480 -0.044 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000419846727 1072207244 /nfs/dbraw/zinc/20/72/44/1072207244.db2.gz AHJDXQYHFYDFND-QGZVFWFLSA-N 2 0 379.480 -0.044 20 0 GBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419849973 1072207966 /nfs/dbraw/zinc/20/79/66/1072207966.db2.gz DLHLGTPGCPTMAB-GOSISDBHSA-N 2 0 375.517 -0.313 20 0 GBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419849974 1072207994 /nfs/dbraw/zinc/20/79/94/1072207994.db2.gz DLHLGTPGCPTMAB-SFHVURJKSA-N 2 0 375.517 -0.313 20 0 GBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)o1 ZINC000419852413 1072213767 /nfs/dbraw/zinc/21/37/67/1072213767.db2.gz LFBDRSOJFGPZMN-UHFFFAOYSA-N 2 0 379.505 -0.110 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419854884 1072214478 /nfs/dbraw/zinc/21/44/78/1072214478.db2.gz PSWUXVWURZKDLF-BGYRXZFFSA-N 2 0 399.539 -0.012 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419855467 1072214431 /nfs/dbraw/zinc/21/44/31/1072214431.db2.gz QTMILVLTRYKIPC-GOSISDBHSA-N 2 0 394.564 -0.974 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419855474 1072214360 /nfs/dbraw/zinc/21/43/60/1072214360.db2.gz QTMILVLTRYKIPC-SFHVURJKSA-N 2 0 394.564 -0.974 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419858447 1072215388 /nfs/dbraw/zinc/21/53/88/1072215388.db2.gz WOHCOIDRLFXYFJ-UHFFFAOYSA-N 2 0 387.528 -0.038 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419860316 1072215469 /nfs/dbraw/zinc/21/54/69/1072215469.db2.gz BWVLJYHSQZMKFD-UHFFFAOYSA-N 2 0 397.589 -0.124 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000419867970 1072217704 /nfs/dbraw/zinc/21/77/04/1072217704.db2.gz LJHYQXDWOBMOHP-UHFFFAOYSA-N 2 0 390.488 -0.850 20 0 GBADRP CN1CCC(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000419868298 1072217606 /nfs/dbraw/zinc/21/76/06/1072217606.db2.gz CHSWLVPOFVKEJI-UHFFFAOYSA-N 2 0 394.564 -0.926 20 0 GBADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873714 1072220100 /nfs/dbraw/zinc/22/01/00/1072220100.db2.gz GCRHSTPNXPGSLG-IBGZPJMESA-N 2 0 387.528 -0.012 20 0 GBADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873717 1072219993 /nfs/dbraw/zinc/21/99/93/1072219993.db2.gz GCRHSTPNXPGSLG-LJQANCHMSA-N 2 0 387.528 -0.012 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419873964 1072219794 /nfs/dbraw/zinc/21/97/94/1072219794.db2.gz SIXUCLCAQFPXAY-UHFFFAOYSA-N 2 0 390.488 -0.850 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000419874614 1072219600 /nfs/dbraw/zinc/21/96/00/1072219600.db2.gz UFTSDHMRLIOHKW-KRWDZBQOSA-N 2 0 379.480 -0.044 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000419874618 1072219825 /nfs/dbraw/zinc/21/98/25/1072219825.db2.gz UFTSDHMRLIOHKW-QGZVFWFLSA-N 2 0 379.480 -0.044 20 0 GBADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419874790 1072220021 /nfs/dbraw/zinc/22/00/21/1072220021.db2.gz GGVCXNQEVGIXRY-UHFFFAOYSA-N 2 0 375.517 -0.093 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000419875757 1072220059 /nfs/dbraw/zinc/22/00/59/1072220059.db2.gz VBTBBAJESWVXJO-GOSISDBHSA-N 2 0 375.517 -0.313 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000419875763 1072220071 /nfs/dbraw/zinc/22/00/71/1072220071.db2.gz VBTBBAJESWVXJO-SFHVURJKSA-N 2 0 375.517 -0.313 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419875930 1072219864 /nfs/dbraw/zinc/21/98/64/1072219864.db2.gz VJGDEJTVXZRKQG-UHFFFAOYSA-N 2 0 387.528 -0.387 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000419876491 1072220870 /nfs/dbraw/zinc/22/08/70/1072220870.db2.gz VURXSDHRNQACAS-UHFFFAOYSA-N 2 0 379.480 -0.215 20 0 GBADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C2)CC1 ZINC000419878133 1072220498 /nfs/dbraw/zinc/22/04/98/1072220498.db2.gz XUMDCEJEKAWZNK-GOSISDBHSA-N 2 0 379.549 -0.022 20 0 GBADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)C2)CC1 ZINC000419878134 1072220793 /nfs/dbraw/zinc/22/07/93/1072220793.db2.gz XUMDCEJEKAWZNK-SFHVURJKSA-N 2 0 379.549 -0.022 20 0 GBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878748 1072221525 /nfs/dbraw/zinc/22/15/25/1072221525.db2.gz YITMAACVDWQTJE-UHFFFAOYSA-N 2 0 379.480 -0.263 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC000419878819 1072221633 /nfs/dbraw/zinc/22/16/33/1072221633.db2.gz YOYSXSANGFVQMI-UHFFFAOYSA-N 2 0 394.564 -0.975 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419880019 1072221624 /nfs/dbraw/zinc/22/16/24/1072221624.db2.gz ZQXZQPOJBUZKLF-AEFFLSMTSA-N 2 0 377.533 -0.127 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419880023 1072221536 /nfs/dbraw/zinc/22/15/36/1072221536.db2.gz ZQXZQPOJBUZKLF-FUHWJXTLSA-N 2 0 377.533 -0.127 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419880027 1072221580 /nfs/dbraw/zinc/22/15/80/1072221580.db2.gz ZQXZQPOJBUZKLF-SJLPKXTDSA-N 2 0 377.533 -0.127 20 0 GBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419880030 1072221706 /nfs/dbraw/zinc/22/17/06/1072221706.db2.gz ZQXZQPOJBUZKLF-WMZOPIPTSA-N 2 0 377.533 -0.127 20 0 GBADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419881804 1072222503 /nfs/dbraw/zinc/22/25/03/1072222503.db2.gz LTECNUMNFLJWGC-UHFFFAOYSA-N 2 0 391.516 -0.393 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419883489 1072222064 /nfs/dbraw/zinc/22/20/64/1072222064.db2.gz NEHDQNKMHBEPJD-KDURUIRLSA-N 2 0 385.512 -0.402 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419886990 1072222859 /nfs/dbraw/zinc/22/28/59/1072222859.db2.gz PUNUMWKZACEMAB-UHFFFAOYSA-N 2 0 397.470 -0.124 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419888155 1072222824 /nfs/dbraw/zinc/22/28/24/1072222824.db2.gz QZDZWPLAPHCSPZ-UHFFFAOYSA-N 2 0 397.470 -0.124 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419890363 1072223224 /nfs/dbraw/zinc/22/32/24/1072223224.db2.gz SOWBYJUWBHAFKV-UHFFFAOYSA-N 2 0 379.480 -0.263 20 0 GBADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419890461 1072223688 /nfs/dbraw/zinc/22/36/88/1072223688.db2.gz SWJYIHOLDDKFSL-UHFFFAOYSA-N 2 0 379.480 -0.263 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419892369 1072223877 /nfs/dbraw/zinc/22/38/77/1072223877.db2.gz NYMQEBYLHUUFDY-CVEARBPZSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419892370 1072223717 /nfs/dbraw/zinc/22/37/17/1072223717.db2.gz NYMQEBYLHUUFDY-HOTGVXAUSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419892371 1072223843 /nfs/dbraw/zinc/22/38/43/1072223843.db2.gz NYMQEBYLHUUFDY-HZPDHXFCSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419892372 1072223904 /nfs/dbraw/zinc/22/39/04/1072223904.db2.gz NYMQEBYLHUUFDY-JKSUJKDBSA-N 2 0 381.521 -0.497 20 0 GBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419895260 1072224321 /nfs/dbraw/zinc/22/43/21/1072224321.db2.gz RUXTUZAKYURBHY-UHFFFAOYSA-N 2 0 375.517 -0.012 20 0 GBADRP C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000419895722 1072224995 /nfs/dbraw/zinc/22/49/95/1072224995.db2.gz MVENYJOLOAPDNH-UHFFFAOYSA-N 2 0 377.489 -0.389 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896562 1072224977 /nfs/dbraw/zinc/22/49/77/1072224977.db2.gz XZIAIYSJNAEHKR-HDICACEKSA-N 2 0 394.564 -0.975 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896563 1072224973 /nfs/dbraw/zinc/22/49/73/1072224973.db2.gz XZIAIYSJNAEHKR-QZTJIDSGSA-N 2 0 394.564 -0.975 20 0 GBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896564 1072224944 /nfs/dbraw/zinc/22/49/44/1072224944.db2.gz XZIAIYSJNAEHKR-ROUUACIJSA-N 2 0 394.564 -0.975 20 0 GBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419897038 1072225323 /nfs/dbraw/zinc/22/53/23/1072225323.db2.gz YOKHFINHDUNISU-INIZCTEOSA-N 2 0 389.500 -0.246 20 0 GBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419897040 1072224938 /nfs/dbraw/zinc/22/49/38/1072224938.db2.gz YOKHFINHDUNISU-MRXNPFEDSA-N 2 0 389.500 -0.246 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419897195 1072225156 /nfs/dbraw/zinc/22/51/56/1072225156.db2.gz QIPXRISSFMQTKV-CVEARBPZSA-N 2 0 379.505 -0.743 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419897196 1072225371 /nfs/dbraw/zinc/22/53/71/1072225371.db2.gz QIPXRISSFMQTKV-HOTGVXAUSA-N 2 0 379.505 -0.743 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419897197 1072225393 /nfs/dbraw/zinc/22/53/93/1072225393.db2.gz QIPXRISSFMQTKV-HZPDHXFCSA-N 2 0 379.505 -0.743 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419897198 1072225222 /nfs/dbraw/zinc/22/52/22/1072225222.db2.gz QIPXRISSFMQTKV-JKSUJKDBSA-N 2 0 379.505 -0.743 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419918037 1072227653 /nfs/dbraw/zinc/22/76/53/1072227653.db2.gz SZNHADYLVFTRJV-KRWDZBQOSA-N 2 0 389.500 -0.185 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419918038 1072227514 /nfs/dbraw/zinc/22/75/14/1072227514.db2.gz SZNHADYLVFTRJV-QGZVFWFLSA-N 2 0 389.500 -0.185 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923812 1072228464 /nfs/dbraw/zinc/22/84/64/1072228464.db2.gz GSNZHEASEBBGPN-DLBZAZTESA-N 2 0 387.484 -0.432 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923815 1072228403 /nfs/dbraw/zinc/22/84/03/1072228403.db2.gz GSNZHEASEBBGPN-IAGOWNOFSA-N 2 0 387.484 -0.432 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419923817 1072228195 /nfs/dbraw/zinc/22/81/95/1072228195.db2.gz GSNZHEASEBBGPN-IRXDYDNUSA-N 2 0 387.484 -0.432 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419923820 1072228228 /nfs/dbraw/zinc/22/82/28/1072228228.db2.gz GSNZHEASEBBGPN-SJORKVTESA-N 2 0 387.484 -0.432 20 0 GBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000419924193 1072228349 /nfs/dbraw/zinc/22/83/49/1072228349.db2.gz CACMWKCJUGGIOH-HNNXBMFYSA-N 2 0 376.505 -0.237 20 0 GBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000419924196 1072228206 /nfs/dbraw/zinc/22/82/06/1072228206.db2.gz CACMWKCJUGGIOH-OAHLLOKOSA-N 2 0 376.505 -0.237 20 0 GBADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000419934616 1072231691 /nfs/dbraw/zinc/23/16/91/1072231691.db2.gz RFNQTHAPUNAKIY-KRWDZBQOSA-N 2 0 387.484 -0.431 20 0 GBADRP [NH3+][C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000419934617 1072231747 /nfs/dbraw/zinc/23/17/47/1072231747.db2.gz RFNQTHAPUNAKIY-QGZVFWFLSA-N 2 0 387.484 -0.431 20 0 GBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000419942051 1072232149 /nfs/dbraw/zinc/23/21/49/1072232149.db2.gz YTGFMHMXOCYPJW-MSOLQXFVSA-N 2 0 395.548 -0.502 20 0 GBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000419942052 1072232200 /nfs/dbraw/zinc/23/22/00/1072232200.db2.gz YTGFMHMXOCYPJW-QZTJIDSGSA-N 2 0 395.548 -0.502 20 0 GBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000419942959 1072232449 /nfs/dbraw/zinc/23/24/49/1072232449.db2.gz GNOPZEBSTJZTIO-DLBZAZTESA-N 2 0 383.537 -0.789 20 0 GBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000419942960 1072232187 /nfs/dbraw/zinc/23/21/87/1072232187.db2.gz GNOPZEBSTJZTIO-IAGOWNOFSA-N 2 0 383.537 -0.789 20 0 GBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000419942961 1072232387 /nfs/dbraw/zinc/23/23/87/1072232387.db2.gz GNOPZEBSTJZTIO-IRXDYDNUSA-N 2 0 383.537 -0.789 20 0 GBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000419942962 1072232172 /nfs/dbraw/zinc/23/21/72/1072232172.db2.gz GNOPZEBSTJZTIO-SJORKVTESA-N 2 0 383.537 -0.789 20 0 GBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000419945460 1072232284 /nfs/dbraw/zinc/23/22/84/1072232284.db2.gz SJQCBPHURMFAOX-INIZCTEOSA-N 2 0 391.516 -0.013 20 0 GBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000419945461 1072232465 /nfs/dbraw/zinc/23/24/65/1072232465.db2.gz SJQCBPHURMFAOX-MRXNPFEDSA-N 2 0 391.516 -0.013 20 0 GBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419960678 1072233291 /nfs/dbraw/zinc/23/32/91/1072233291.db2.gz SMNFNOBAVBGOMA-KRWDZBQOSA-N 2 0 375.517 -0.026 20 0 GBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419960680 1072233024 /nfs/dbraw/zinc/23/30/24/1072233024.db2.gz SMNFNOBAVBGOMA-QGZVFWFLSA-N 2 0 375.517 -0.026 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974192 1072235062 /nfs/dbraw/zinc/23/50/62/1072235062.db2.gz HZBHSZLVHPZCNV-DLBZAZTESA-N 2 0 393.532 -0.225 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974193 1072235585 /nfs/dbraw/zinc/23/55/85/1072235585.db2.gz HZBHSZLVHPZCNV-IAGOWNOFSA-N 2 0 393.532 -0.225 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974194 1072235125 /nfs/dbraw/zinc/23/51/25/1072235125.db2.gz HZBHSZLVHPZCNV-IRXDYDNUSA-N 2 0 393.532 -0.225 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419974195 1072235090 /nfs/dbraw/zinc/23/50/90/1072235090.db2.gz HZBHSZLVHPZCNV-SJORKVTESA-N 2 0 393.532 -0.225 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419976813 1072235109 /nfs/dbraw/zinc/23/51/09/1072235109.db2.gz LZKNMURMSYAIFY-INIZCTEOSA-N 2 0 381.521 -0.495 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419976814 1072235175 /nfs/dbraw/zinc/23/51/75/1072235175.db2.gz LZKNMURMSYAIFY-MRXNPFEDSA-N 2 0 381.521 -0.495 20 0 GBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000419978118 1072235620 /nfs/dbraw/zinc/23/56/20/1072235620.db2.gz NSIQSCLIICZUOJ-KRWDZBQOSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000419978119 1072235529 /nfs/dbraw/zinc/23/55/29/1072235529.db2.gz NSIQSCLIICZUOJ-QGZVFWFLSA-N 2 0 393.532 -0.223 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419997574 1072237427 /nfs/dbraw/zinc/23/74/27/1072237427.db2.gz KDMPNIULDPKPDT-CVEARBPZSA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419997576 1072237591 /nfs/dbraw/zinc/23/75/91/1072237591.db2.gz KDMPNIULDPKPDT-HOTGVXAUSA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419997578 1072237642 /nfs/dbraw/zinc/23/76/42/1072237642.db2.gz KDMPNIULDPKPDT-HZPDHXFCSA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419997580 1072237684 /nfs/dbraw/zinc/23/76/84/1072237684.db2.gz KDMPNIULDPKPDT-JKSUJKDBSA-N 2 0 379.505 -0.743 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420000568 1072238402 /nfs/dbraw/zinc/23/84/02/1072238402.db2.gz OLTJCSSISCPELG-INIZCTEOSA-N 2 0 379.505 -0.741 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420000569 1072238574 /nfs/dbraw/zinc/23/85/74/1072238574.db2.gz OLTJCSSISCPELG-MRXNPFEDSA-N 2 0 379.505 -0.741 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420012468 1072242738 /nfs/dbraw/zinc/24/27/38/1072242738.db2.gz IGMDAOLKVLADFO-CVEARBPZSA-N 2 0 381.521 -0.367 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420012469 1072242569 /nfs/dbraw/zinc/24/25/69/1072242569.db2.gz IGMDAOLKVLADFO-HOTGVXAUSA-N 2 0 381.521 -0.367 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420012471 1072242637 /nfs/dbraw/zinc/24/26/37/1072242637.db2.gz IGMDAOLKVLADFO-HZPDHXFCSA-N 2 0 381.521 -0.367 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420012473 1072242604 /nfs/dbraw/zinc/24/26/04/1072242604.db2.gz IGMDAOLKVLADFO-JKSUJKDBSA-N 2 0 381.521 -0.367 20 0 GBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000420018699 1072243813 /nfs/dbraw/zinc/24/38/13/1072243813.db2.gz YPVARVNFKWLJSW-OAHLLOKOSA-N 2 0 377.489 -0.261 20 0 GBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000420019002 1072243765 /nfs/dbraw/zinc/24/37/65/1072243765.db2.gz ZMJZFLFORWHSIF-IAGOWNOFSA-N 2 0 388.516 -0.094 20 0 GBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000420019003 1072243775 /nfs/dbraw/zinc/24/37/75/1072243775.db2.gz ZMJZFLFORWHSIF-SJORKVTESA-N 2 0 388.516 -0.094 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420028604 1072241175 /nfs/dbraw/zinc/24/11/75/1072241175.db2.gz DXJCNQLNHPZBMD-ARFHVFGLSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420028606 1072240958 /nfs/dbraw/zinc/24/09/58/1072240958.db2.gz DXJCNQLNHPZBMD-BZUAXINKSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420028611 1072241021 /nfs/dbraw/zinc/24/10/21/1072241021.db2.gz DXJCNQLNHPZBMD-OAGGEKHMSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420028613 1072240914 /nfs/dbraw/zinc/24/09/14/1072240914.db2.gz DXJCNQLNHPZBMD-XHSDSOJGSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420034303 1072242013 /nfs/dbraw/zinc/24/20/13/1072242013.db2.gz JNYPLZGFQMKRRZ-GDBMZVCRSA-N 2 0 383.537 -0.300 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420034304 1072241779 /nfs/dbraw/zinc/24/17/79/1072241779.db2.gz JNYPLZGFQMKRRZ-GOEBONIOSA-N 2 0 383.537 -0.300 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420034305 1072242040 /nfs/dbraw/zinc/24/20/40/1072242040.db2.gz JNYPLZGFQMKRRZ-HOCLYGCPSA-N 2 0 383.537 -0.300 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000420034306 1072241585 /nfs/dbraw/zinc/24/15/85/1072241585.db2.gz JNYPLZGFQMKRRZ-ZBFHGGJFSA-N 2 0 383.537 -0.300 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420035333 1072241836 /nfs/dbraw/zinc/24/18/36/1072241836.db2.gz JZOSPKUZLOJTBA-KBPBESRZSA-N 2 0 391.472 -0.032 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420035334 1072241872 /nfs/dbraw/zinc/24/18/72/1072241872.db2.gz JZOSPKUZLOJTBA-KGLIPLIRSA-N 2 0 391.472 -0.032 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420035335 1072241969 /nfs/dbraw/zinc/24/19/69/1072241969.db2.gz JZOSPKUZLOJTBA-UONOGXRCSA-N 2 0 391.472 -0.032 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420035336 1072242105 /nfs/dbraw/zinc/24/21/05/1072242105.db2.gz JZOSPKUZLOJTBA-ZIAGYGMSSA-N 2 0 391.472 -0.032 20 0 GBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000420035423 1072241707 /nfs/dbraw/zinc/24/17/07/1072241707.db2.gz YPVARVNFKWLJSW-HNNXBMFYSA-N 2 0 377.489 -0.261 20 0 GBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000420035944 1072240116 /nfs/dbraw/zinc/24/01/16/1072240116.db2.gz ZMJZFLFORWHSIF-DLBZAZTESA-N 2 0 388.516 -0.094 20 0 GBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000420035945 1072239799 /nfs/dbraw/zinc/23/97/99/1072239799.db2.gz ZMJZFLFORWHSIF-IRXDYDNUSA-N 2 0 388.516 -0.094 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)c1 ZINC000420036324 1072241909 /nfs/dbraw/zinc/24/19/09/1072241909.db2.gz KTBUXGKLUJRVDT-DZGCQCFKSA-N 2 0 391.472 -0.032 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)c1 ZINC000420036325 1072241636 /nfs/dbraw/zinc/24/16/36/1072241636.db2.gz KTBUXGKLUJRVDT-HIFRSBDPSA-N 2 0 391.472 -0.032 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)c1 ZINC000420036326 1072242122 /nfs/dbraw/zinc/24/21/22/1072242122.db2.gz KTBUXGKLUJRVDT-UKRRQHHQSA-N 2 0 391.472 -0.032 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)c1 ZINC000420036327 1072242764 /nfs/dbraw/zinc/24/27/64/1072242764.db2.gz KTBUXGKLUJRVDT-ZFWWWQNUSA-N 2 0 391.472 -0.032 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420044809 1072246326 /nfs/dbraw/zinc/24/63/26/1072246326.db2.gz UFDXMSVOKJSLJJ-FMKPAKJESA-N 2 0 382.505 -0.073 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420044810 1072245876 /nfs/dbraw/zinc/24/58/76/1072245876.db2.gz UFDXMSVOKJSLJJ-IIAWOOMASA-N 2 0 382.505 -0.073 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420044811 1072246271 /nfs/dbraw/zinc/24/62/71/1072246271.db2.gz UFDXMSVOKJSLJJ-IJEWVQPXSA-N 2 0 382.505 -0.073 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000420044812 1072246011 /nfs/dbraw/zinc/24/60/11/1072246011.db2.gz UFDXMSVOKJSLJJ-YCPHGPKFSA-N 2 0 382.505 -0.073 20 0 GBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000420045592 1072246583 /nfs/dbraw/zinc/24/65/83/1072246583.db2.gz ARWFBWKCTVXWNQ-INIZCTEOSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000420045593 1072247378 /nfs/dbraw/zinc/24/73/78/1072247378.db2.gz ARWFBWKCTVXWNQ-MRXNPFEDSA-N 2 0 379.505 -0.613 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420047192 1072247640 /nfs/dbraw/zinc/24/76/40/1072247640.db2.gz WCJSLSMEGWSHQW-CABCVRRESA-N 2 0 397.520 -0.772 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420047195 1072247528 /nfs/dbraw/zinc/24/75/28/1072247528.db2.gz WCJSLSMEGWSHQW-GJZGRUSLSA-N 2 0 397.520 -0.772 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420047198 1072247744 /nfs/dbraw/zinc/24/77/44/1072247744.db2.gz WCJSLSMEGWSHQW-HUUCEWRRSA-N 2 0 397.520 -0.772 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420047201 1072247721 /nfs/dbraw/zinc/24/77/21/1072247721.db2.gz WCJSLSMEGWSHQW-LSDHHAIUSA-N 2 0 397.520 -0.772 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420047218 1072247048 /nfs/dbraw/zinc/24/70/48/1072247048.db2.gz WDHXMXLHXYACRJ-BBWFWOEESA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420047224 1072247492 /nfs/dbraw/zinc/24/74/92/1072247492.db2.gz WDHXMXLHXYACRJ-GVDBMIGSSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420047225 1072247412 /nfs/dbraw/zinc/24/74/12/1072247412.db2.gz WDHXMXLHXYACRJ-ULQDDVLXSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420047228 1072247096 /nfs/dbraw/zinc/24/70/96/1072247096.db2.gz WDHXMXLHXYACRJ-YESZJQIVSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420048410 1072247660 /nfs/dbraw/zinc/24/76/60/1072247660.db2.gz XIUJBMGKTXRNOZ-GDBMZVCRSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420048411 1072247750 /nfs/dbraw/zinc/24/77/50/1072247750.db2.gz XIUJBMGKTXRNOZ-GOEBONIOSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420048657 1072247564 /nfs/dbraw/zinc/24/75/64/1072247564.db2.gz XIUJBMGKTXRNOZ-HOCLYGCPSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420048659 1072247645 /nfs/dbraw/zinc/24/76/45/1072247645.db2.gz XIUJBMGKTXRNOZ-ZBFHGGJFSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420051386 1072247231 /nfs/dbraw/zinc/24/72/31/1072247231.db2.gz DXJCNQLNHPZBMD-HRCADAONSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420051391 1072247165 /nfs/dbraw/zinc/24/71/65/1072247165.db2.gz DXJCNQLNHPZBMD-JYJNAYRXSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420051397 1072247624 /nfs/dbraw/zinc/24/76/24/1072247624.db2.gz DXJCNQLNHPZBMD-OWCLPIDISA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420051402 1072247318 /nfs/dbraw/zinc/24/73/18/1072247318.db2.gz DXJCNQLNHPZBMD-PMPSAXMXSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420055157 1072248205 /nfs/dbraw/zinc/24/82/05/1072248205.db2.gz HQHFJLJHJGQADK-HLLBOEOZSA-N 2 0 395.548 -0.158 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420055158 1072248387 /nfs/dbraw/zinc/24/83/87/1072248387.db2.gz HQHFJLJHJGQADK-VYDXJSESSA-N 2 0 395.548 -0.158 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420055159 1072248403 /nfs/dbraw/zinc/24/84/03/1072248403.db2.gz HQHFJLJHJGQADK-YQQAZPJKSA-N 2 0 395.548 -0.158 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420055160 1072248459 /nfs/dbraw/zinc/24/84/59/1072248459.db2.gz HQHFJLJHJGQADK-ZOBUZTSGSA-N 2 0 395.548 -0.158 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420060119 1072244217 /nfs/dbraw/zinc/24/42/17/1072244217.db2.gz KQLMTVKSOUVQMW-GDBMZVCRSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420060120 1072244251 /nfs/dbraw/zinc/24/42/51/1072244251.db2.gz KQLMTVKSOUVQMW-GOEBONIOSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420060121 1072244240 /nfs/dbraw/zinc/24/42/40/1072244240.db2.gz KQLMTVKSOUVQMW-HOCLYGCPSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420060122 1072244758 /nfs/dbraw/zinc/24/47/58/1072244758.db2.gz KQLMTVKSOUVQMW-ZBFHGGJFSA-N 2 0 382.505 -0.214 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420063107 1072244710 /nfs/dbraw/zinc/24/47/10/1072244710.db2.gz NKHBDLMICVUTAN-FMKPAKJESA-N 2 0 382.505 -0.073 20 0 GBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420063108 1072244476 /nfs/dbraw/zinc/24/44/76/1072244476.db2.gz NKHBDLMICVUTAN-IIAWOOMASA-N 2 0 382.505 -0.073 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420063109 1072244389 /nfs/dbraw/zinc/24/43/89/1072244389.db2.gz NKHBDLMICVUTAN-IJEWVQPXSA-N 2 0 382.505 -0.073 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000420063110 1072244789 /nfs/dbraw/zinc/24/47/89/1072244789.db2.gz NKHBDLMICVUTAN-YCPHGPKFSA-N 2 0 382.505 -0.073 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420068440 1072249160 /nfs/dbraw/zinc/24/91/60/1072249160.db2.gz ZLPJCEJSSBAATP-CVEARBPZSA-N 2 0 379.505 -0.615 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420068441 1072249461 /nfs/dbraw/zinc/24/94/61/1072249461.db2.gz ZLPJCEJSSBAATP-HOTGVXAUSA-N 2 0 379.505 -0.615 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420068442 1072249315 /nfs/dbraw/zinc/24/93/15/1072249315.db2.gz ZLPJCEJSSBAATP-HZPDHXFCSA-N 2 0 379.505 -0.615 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420068443 1072249205 /nfs/dbraw/zinc/24/92/05/1072249205.db2.gz ZLPJCEJSSBAATP-JKSUJKDBSA-N 2 0 379.505 -0.615 20 0 GBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420074532 1072250088 /nfs/dbraw/zinc/25/00/88/1072250088.db2.gz ZQANGFNYVDJAOK-CVEARBPZSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420074535 1072249885 /nfs/dbraw/zinc/24/98/85/1072249885.db2.gz ZQANGFNYVDJAOK-HOTGVXAUSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420074538 1072250027 /nfs/dbraw/zinc/25/00/27/1072250027.db2.gz ZQANGFNYVDJAOK-HZPDHXFCSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420074541 1072250007 /nfs/dbraw/zinc/25/00/07/1072250007.db2.gz ZQANGFNYVDJAOK-JKSUJKDBSA-N 2 0 379.505 -0.613 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420079495 1072250886 /nfs/dbraw/zinc/25/08/86/1072250886.db2.gz FFSBFTVHMJFRCU-UHFFFAOYSA-N 2 0 381.521 -0.495 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420087009 1072251887 /nfs/dbraw/zinc/25/18/87/1072251887.db2.gz PBIJGQIUEGUPMV-INIZCTEOSA-N 2 0 381.521 -0.367 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420087010 1072252013 /nfs/dbraw/zinc/25/20/13/1072252013.db2.gz PBIJGQIUEGUPMV-MRXNPFEDSA-N 2 0 381.521 -0.367 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420093572 1072255043 /nfs/dbraw/zinc/25/50/43/1072255043.db2.gz PWXNHTLENNWDEY-GOSISDBHSA-N 2 0 399.495 -0.329 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420093577 1072254957 /nfs/dbraw/zinc/25/49/57/1072254957.db2.gz PWXNHTLENNWDEY-SFHVURJKSA-N 2 0 399.495 -0.329 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420099376 1072252639 /nfs/dbraw/zinc/25/26/39/1072252639.db2.gz KFVQKYPCSVBDAJ-IBGZPJMESA-N 2 0 381.521 -0.495 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420099379 1072252546 /nfs/dbraw/zinc/25/25/46/1072252546.db2.gz KFVQKYPCSVBDAJ-LJQANCHMSA-N 2 0 381.521 -0.495 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420100572 1072252673 /nfs/dbraw/zinc/25/26/73/1072252673.db2.gz ZURHNTAHUWQOII-UHFFFAOYSA-N 2 0 399.495 -0.327 20 0 GBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000420111236 1072254341 /nfs/dbraw/zinc/25/43/41/1072254341.db2.gz GHBIBVGJLPKURJ-AQDBYXPISA-N 2 0 377.533 -0.130 20 0 GBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000420111237 1072254144 /nfs/dbraw/zinc/25/41/44/1072254144.db2.gz GHBIBVGJLPKURJ-FNNOIMFVSA-N 2 0 377.533 -0.130 20 0 GBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000420111238 1072254190 /nfs/dbraw/zinc/25/41/90/1072254190.db2.gz GHBIBVGJLPKURJ-HVVXOQGOSA-N 2 0 377.533 -0.130 20 0 GBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000420111239 1072254114 /nfs/dbraw/zinc/25/41/14/1072254114.db2.gz GHBIBVGJLPKURJ-WKUFJEKOSA-N 2 0 377.533 -0.130 20 0 GBADRP CC1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000420121961 1072256406 /nfs/dbraw/zinc/25/64/06/1072256406.db2.gz NFKBYWYADHTAJR-UHFFFAOYSA-N 2 0 379.505 -0.741 20 0 GBADRP C[C@]1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000420126348 1072257175 /nfs/dbraw/zinc/25/71/75/1072257175.db2.gz RLAFQABVKKNBSK-IBGZPJMESA-N 2 0 379.505 -0.741 20 0 GBADRP C[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000420126349 1072257087 /nfs/dbraw/zinc/25/70/87/1072257087.db2.gz RLAFQABVKKNBSK-LJQANCHMSA-N 2 0 379.505 -0.741 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161224 1072257733 /nfs/dbraw/zinc/25/77/33/1072257733.db2.gz JNCWRLOKEMIPGZ-CVEARBPZSA-N 2 0 393.532 -0.354 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161225 1072257833 /nfs/dbraw/zinc/25/78/33/1072257833.db2.gz JNCWRLOKEMIPGZ-HOTGVXAUSA-N 2 0 393.532 -0.354 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161226 1072258018 /nfs/dbraw/zinc/25/80/18/1072258018.db2.gz JNCWRLOKEMIPGZ-HZPDHXFCSA-N 2 0 393.532 -0.354 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420161227 1072257765 /nfs/dbraw/zinc/25/77/65/1072257765.db2.gz JNCWRLOKEMIPGZ-JKSUJKDBSA-N 2 0 393.532 -0.354 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162423 1072258078 /nfs/dbraw/zinc/25/80/78/1072258078.db2.gz IEVJYYIDQTUTBH-INIZCTEOSA-N 2 0 377.489 -0.823 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162424 1072258111 /nfs/dbraw/zinc/25/81/11/1072258111.db2.gz IEVJYYIDQTUTBH-MRXNPFEDSA-N 2 0 377.489 -0.823 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420162921 1072258968 /nfs/dbraw/zinc/25/89/68/1072258968.db2.gz JIMKXGAREACTTP-UHFFFAOYSA-N 2 0 379.505 -0.575 20 0 GBADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420163572 1072258778 /nfs/dbraw/zinc/25/87/78/1072258778.db2.gz LIKWQIFOOVRZSB-INIZCTEOSA-N 2 0 393.532 -0.353 20 0 GBADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000420163573 1072258695 /nfs/dbraw/zinc/25/86/95/1072258695.db2.gz LIKWQIFOOVRZSB-MRXNPFEDSA-N 2 0 393.532 -0.353 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166334 1072264858 /nfs/dbraw/zinc/26/48/58/1072264858.db2.gz OETFWVXRYQUMGU-INIZCTEOSA-N 2 0 395.548 -0.107 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166335 1072264935 /nfs/dbraw/zinc/26/49/35/1072264935.db2.gz OETFWVXRYQUMGU-MRXNPFEDSA-N 2 0 395.548 -0.107 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420166490 1072264238 /nfs/dbraw/zinc/26/42/38/1072264238.db2.gz PNCZPYISBKRUGK-UHFFFAOYSA-N 2 0 377.489 -0.821 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000420179048 1072262138 /nfs/dbraw/zinc/26/21/38/1072262138.db2.gz FIPLFGJUABLBBZ-UHFFFAOYSA-N 2 0 383.537 -0.595 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000420180701 1072262999 /nfs/dbraw/zinc/26/29/99/1072262999.db2.gz BXRXWEPSXUGRDY-HZSPNIEDSA-N 2 0 391.438 -0.509 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000420180704 1072262840 /nfs/dbraw/zinc/26/28/40/1072262840.db2.gz BXRXWEPSXUGRDY-MCIONIFRSA-N 2 0 391.438 -0.509 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000420180707 1072263430 /nfs/dbraw/zinc/26/34/30/1072263430.db2.gz BXRXWEPSXUGRDY-MGPQQGTHSA-N 2 0 391.438 -0.509 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000420180710 1072263322 /nfs/dbraw/zinc/26/33/22/1072263322.db2.gz BXRXWEPSXUGRDY-RDBSUJKOSA-N 2 0 391.438 -0.509 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420181834 1072262943 /nfs/dbraw/zinc/26/29/43/1072262943.db2.gz IWWRFWTVFYFKMO-HOTGVXAUSA-N 2 0 384.521 -0.314 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420181836 1072263410 /nfs/dbraw/zinc/26/34/10/1072263410.db2.gz IWWRFWTVFYFKMO-HZPDHXFCSA-N 2 0 384.521 -0.314 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420181838 1072263298 /nfs/dbraw/zinc/26/32/98/1072263298.db2.gz IWWRFWTVFYFKMO-IYBDPMFKSA-N 2 0 384.521 -0.314 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420182106 1072262897 /nfs/dbraw/zinc/26/28/97/1072262897.db2.gz FFXBINOZNZKDCZ-AWEZNQCLSA-N 2 0 377.445 -0.767 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420182107 1072262927 /nfs/dbraw/zinc/26/29/27/1072262927.db2.gz FFXBINOZNZKDCZ-CQSZACIVSA-N 2 0 377.445 -0.767 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420182397 1072263375 /nfs/dbraw/zinc/26/33/75/1072263375.db2.gz FGBWDWCFZFASMZ-GOSISDBHSA-N 2 0 396.532 -0.168 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420182400 1072263052 /nfs/dbraw/zinc/26/30/52/1072263052.db2.gz FGBWDWCFZFASMZ-SFHVURJKSA-N 2 0 396.532 -0.168 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420183048 1072263355 /nfs/dbraw/zinc/26/33/55/1072263355.db2.gz KZOWLJUYVDBKHB-CALCHBBNSA-N 2 0 383.537 -0.644 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420183049 1072263392 /nfs/dbraw/zinc/26/33/92/1072263392.db2.gz KZOWLJUYVDBKHB-IAGOWNOFSA-N 2 0 383.537 -0.644 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420183051 1072263145 /nfs/dbraw/zinc/26/31/45/1072263145.db2.gz KZOWLJUYVDBKHB-IRXDYDNUSA-N 2 0 383.537 -0.644 20 0 GBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420185411 1072264198 /nfs/dbraw/zinc/26/41/98/1072264198.db2.gz PNKSVGCHQXNCGY-UHFFFAOYSA-N 2 0 383.537 -0.644 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420187630 1072268920 /nfs/dbraw/zinc/26/89/20/1072268920.db2.gz MENTYTYPUHMLKU-HNNXBMFYSA-N 2 0 377.445 -0.767 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420187633 1072269243 /nfs/dbraw/zinc/26/92/43/1072269243.db2.gz MENTYTYPUHMLKU-OAHLLOKOSA-N 2 0 377.445 -0.767 20 0 GBADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420188803 1072269834 /nfs/dbraw/zinc/26/98/34/1072269834.db2.gz CYBCHTUTKOPOLO-KRWDZBQOSA-N 2 0 378.473 -0.310 20 0 GBADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420188804 1072270297 /nfs/dbraw/zinc/27/02/97/1072270297.db2.gz CYBCHTUTKOPOLO-QGZVFWFLSA-N 2 0 378.473 -0.310 20 0 GBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420190512 1072270062 /nfs/dbraw/zinc/27/00/62/1072270062.db2.gz FYABRKQCNWVXQE-KRWDZBQOSA-N 2 0 384.521 -0.312 20 0 GBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420190514 1072270200 /nfs/dbraw/zinc/27/02/00/1072270200.db2.gz FYABRKQCNWVXQE-QGZVFWFLSA-N 2 0 384.521 -0.312 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420192232 1072270779 /nfs/dbraw/zinc/27/07/79/1072270779.db2.gz HVOQBPWPKUUELQ-AWEZNQCLSA-N 2 0 384.427 -0.040 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420192233 1072271043 /nfs/dbraw/zinc/27/10/43/1072271043.db2.gz HVOQBPWPKUUELQ-CQSZACIVSA-N 2 0 384.427 -0.040 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420193869 1072272033 /nfs/dbraw/zinc/27/20/33/1072272033.db2.gz RVBOQMNJZZIBEV-FGTMMUONSA-N 2 0 395.548 -0.502 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420193872 1072272017 /nfs/dbraw/zinc/27/20/17/1072272017.db2.gz RVBOQMNJZZIBEV-KSZLIROESA-N 2 0 395.548 -0.502 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420193874 1072271561 /nfs/dbraw/zinc/27/15/61/1072271561.db2.gz RVBOQMNJZZIBEV-KURKYZTESA-N 2 0 395.548 -0.502 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420193876 1072271714 /nfs/dbraw/zinc/27/17/14/1072271714.db2.gz RVBOQMNJZZIBEV-KZNAEPCWSA-N 2 0 395.548 -0.502 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420197146 1072267122 /nfs/dbraw/zinc/26/71/22/1072267122.db2.gz BGWBRUWLCCNRQN-BRWVUGGUSA-N 2 0 393.532 -0.497 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420197148 1072267033 /nfs/dbraw/zinc/26/70/33/1072267033.db2.gz BGWBRUWLCCNRQN-GVDBMIGSSA-N 2 0 393.532 -0.497 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420197152 1072267045 /nfs/dbraw/zinc/26/70/45/1072267045.db2.gz BGWBRUWLCCNRQN-IXDOHACOSA-N 2 0 393.532 -0.497 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420197155 1072266975 /nfs/dbraw/zinc/26/69/75/1072266975.db2.gz BGWBRUWLCCNRQN-YESZJQIVSA-N 2 0 393.532 -0.497 20 0 GBADRP CC(=O)NC1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420199210 1072266537 /nfs/dbraw/zinc/26/65/37/1072266537.db2.gz DQSWRRUZLXOTDD-UHFFFAOYSA-N 2 0 387.484 -0.557 20 0 GBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201026 1072266827 /nfs/dbraw/zinc/26/68/27/1072266827.db2.gz NHKGPJLQBKPFNQ-FXAWDEMLSA-N 2 0 390.484 -0.814 20 0 GBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201028 1072267057 /nfs/dbraw/zinc/26/70/57/1072267057.db2.gz NHKGPJLQBKPFNQ-PXNSSMCTSA-N 2 0 390.484 -0.814 20 0 GBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201031 1072267091 /nfs/dbraw/zinc/26/70/91/1072267091.db2.gz NHKGPJLQBKPFNQ-XLIONFOSSA-N 2 0 390.484 -0.814 20 0 GBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201033 1072266602 /nfs/dbraw/zinc/26/66/02/1072266602.db2.gz NHKGPJLQBKPFNQ-YLJYHZDGSA-N 2 0 390.484 -0.814 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000420201756 1072266553 /nfs/dbraw/zinc/26/65/53/1072266553.db2.gz ORTBSPSVXYLSEH-KRWDZBQOSA-N 2 0 381.521 -0.892 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000420201758 1072268138 /nfs/dbraw/zinc/26/81/38/1072268138.db2.gz ORTBSPSVXYLSEH-QGZVFWFLSA-N 2 0 381.521 -0.892 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420201901 1072266880 /nfs/dbraw/zinc/26/68/80/1072266880.db2.gz YRKDVTZCVOVAPQ-DLBZAZTESA-N 2 0 381.521 -0.890 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420201905 1072266584 /nfs/dbraw/zinc/26/65/84/1072266584.db2.gz YRKDVTZCVOVAPQ-IAGOWNOFSA-N 2 0 381.521 -0.890 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420201907 1072266952 /nfs/dbraw/zinc/26/69/52/1072266952.db2.gz YRKDVTZCVOVAPQ-IRXDYDNUSA-N 2 0 381.521 -0.890 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420201909 1072266632 /nfs/dbraw/zinc/26/66/32/1072266632.db2.gz YRKDVTZCVOVAPQ-SJORKVTESA-N 2 0 381.521 -0.890 20 0 GBADRP C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420203174 1072268179 /nfs/dbraw/zinc/26/81/79/1072268179.db2.gz KKEZKYYSLSYGDF-HNNXBMFYSA-N 2 0 387.484 -0.557 20 0 GBADRP C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420203176 1072267684 /nfs/dbraw/zinc/26/76/84/1072267684.db2.gz KKEZKYYSLSYGDF-OAHLLOKOSA-N 2 0 387.484 -0.557 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420204036 1072267669 /nfs/dbraw/zinc/26/76/69/1072267669.db2.gz RWLFLZICAUOQCM-KRWDZBQOSA-N 2 0 382.505 -0.558 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420204038 1072267643 /nfs/dbraw/zinc/26/76/43/1072267643.db2.gz RWLFLZICAUOQCM-QGZVFWFLSA-N 2 0 382.505 -0.558 20 0 GBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@@H](C)O1 ZINC000420204222 1072267903 /nfs/dbraw/zinc/26/79/03/1072267903.db2.gz QYQQZYADLJFBCX-JFIYKMOQSA-N 2 0 396.532 -0.171 20 0 GBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000420204225 1072267480 /nfs/dbraw/zinc/26/74/80/1072267480.db2.gz QYQQZYADLJFBCX-JZXOWHBKSA-N 2 0 396.532 -0.171 20 0 GBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)C[C@@H](C)O1 ZINC000420204227 1072267750 /nfs/dbraw/zinc/26/77/50/1072267750.db2.gz QYQQZYADLJFBCX-NUJGCVRESA-N 2 0 396.532 -0.171 20 0 GBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)C[C@H](C)O1 ZINC000420204230 1072268199 /nfs/dbraw/zinc/26/81/99/1072268199.db2.gz QYQQZYADLJFBCX-SOLBZPMBSA-N 2 0 396.532 -0.171 20 0 GBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420205439 1072268806 /nfs/dbraw/zinc/26/88/06/1072268806.db2.gz DJBSYHIDLLCYSX-CYBMUJFWSA-N 2 0 379.427 -0.507 20 0 GBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420205440 1072268495 /nfs/dbraw/zinc/26/84/95/1072268495.db2.gz DJBSYHIDLLCYSX-ZDUSSCGKSA-N 2 0 379.427 -0.507 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420205654 1072268628 /nfs/dbraw/zinc/26/86/28/1072268628.db2.gz RXBMSMKEZLPWAY-HNNXBMFYSA-N 2 0 384.427 -0.040 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420205656 1072268436 /nfs/dbraw/zinc/26/84/36/1072268436.db2.gz RXBMSMKEZLPWAY-OAHLLOKOSA-N 2 0 384.427 -0.040 20 0 GBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420206031 1072269176 /nfs/dbraw/zinc/26/91/76/1072269176.db2.gz DRJKCDBMQGECQY-CYBMUJFWSA-N 2 0 381.443 -0.261 20 0 GBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420206032 1072268888 /nfs/dbraw/zinc/26/88/88/1072268888.db2.gz DRJKCDBMQGECQY-ZDUSSCGKSA-N 2 0 381.443 -0.261 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420206661 1072269144 /nfs/dbraw/zinc/26/91/44/1072269144.db2.gz SWHGDTPRUUUNML-MSOLQXFVSA-N 2 0 389.500 -0.001 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420206662 1072268534 /nfs/dbraw/zinc/26/85/34/1072268534.db2.gz SWHGDTPRUUUNML-QZTJIDSGSA-N 2 0 389.500 -0.001 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420206663 1072268871 /nfs/dbraw/zinc/26/88/71/1072268871.db2.gz SWHGDTPRUUUNML-ROUUACIJSA-N 2 0 389.500 -0.001 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420206664 1072268741 /nfs/dbraw/zinc/26/87/41/1072268741.db2.gz SWHGDTPRUUUNML-ZWKOTPCHSA-N 2 0 389.500 -0.001 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420207214 1072269063 /nfs/dbraw/zinc/26/90/63/1072269063.db2.gz TUSCJWRHVDFQDT-BBWFWOEESA-N 2 0 381.521 -0.892 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420207215 1072268825 /nfs/dbraw/zinc/26/88/25/1072268825.db2.gz TUSCJWRHVDFQDT-BRWVUGGUSA-N 2 0 381.521 -0.892 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420207216 1072268703 /nfs/dbraw/zinc/26/87/03/1072268703.db2.gz TUSCJWRHVDFQDT-IXDOHACOSA-N 2 0 381.521 -0.892 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420207217 1072268786 /nfs/dbraw/zinc/26/87/86/1072268786.db2.gz TUSCJWRHVDFQDT-ZACQAIPSSA-N 2 0 381.521 -0.892 20 0 GBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208668 1072274756 /nfs/dbraw/zinc/27/47/56/1072274756.db2.gz GJYFTFGEDFUAKC-KBPBESRZSA-N 2 0 393.454 -0.213 20 0 GBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208670 1072274635 /nfs/dbraw/zinc/27/46/35/1072274635.db2.gz GJYFTFGEDFUAKC-KGLIPLIRSA-N 2 0 393.454 -0.213 20 0 GBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208672 1072274517 /nfs/dbraw/zinc/27/45/17/1072274517.db2.gz GJYFTFGEDFUAKC-UONOGXRCSA-N 2 0 393.454 -0.213 20 0 GBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420208674 1072274707 /nfs/dbraw/zinc/27/47/07/1072274707.db2.gz GJYFTFGEDFUAKC-ZIAGYGMSSA-N 2 0 393.454 -0.213 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420209618 1072274330 /nfs/dbraw/zinc/27/43/30/1072274330.db2.gz GVBSCUIOEKTPMO-CYBMUJFWSA-N 2 0 379.427 -0.509 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420209619 1072274237 /nfs/dbraw/zinc/27/42/37/1072274237.db2.gz GVBSCUIOEKTPMO-ZDUSSCGKSA-N 2 0 379.427 -0.509 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420212711 1072276263 /nfs/dbraw/zinc/27/62/63/1072276263.db2.gz IUZZDBQUZOCVPC-CYBMUJFWSA-N 2 0 393.454 -0.119 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420212712 1072276337 /nfs/dbraw/zinc/27/63/37/1072276337.db2.gz IUZZDBQUZOCVPC-ZDUSSCGKSA-N 2 0 393.454 -0.119 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420213356 1072276452 /nfs/dbraw/zinc/27/64/52/1072276452.db2.gz JBJZSZZMNHDDNM-AWEZNQCLSA-N 2 0 393.454 -0.119 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420213358 1072276905 /nfs/dbraw/zinc/27/69/05/1072276905.db2.gz JBJZSZZMNHDDNM-CQSZACIVSA-N 2 0 393.454 -0.119 20 0 GBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420214022 1072276964 /nfs/dbraw/zinc/27/69/64/1072276964.db2.gz JOZJBPNUGUSOAR-AWEZNQCLSA-N 2 0 395.470 -0.015 20 0 GBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420214026 1072276583 /nfs/dbraw/zinc/27/65/83/1072276583.db2.gz JOZJBPNUGUSOAR-CQSZACIVSA-N 2 0 395.470 -0.015 20 0 GBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420214169 1072276853 /nfs/dbraw/zinc/27/68/53/1072276853.db2.gz JXKDKIVGGSGJKJ-CYBMUJFWSA-N 2 0 379.427 -0.507 20 0 GBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420214172 1072276616 /nfs/dbraw/zinc/27/66/16/1072276616.db2.gz JXKDKIVGGSGJKJ-ZDUSSCGKSA-N 2 0 379.427 -0.507 20 0 GBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215716 1072277462 /nfs/dbraw/zinc/27/74/62/1072277462.db2.gz LJAQUFVHUWVOBN-KBPBESRZSA-N 2 0 393.454 -0.120 20 0 GBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215718 1072277527 /nfs/dbraw/zinc/27/75/27/1072277527.db2.gz LJAQUFVHUWVOBN-KGLIPLIRSA-N 2 0 393.454 -0.120 20 0 GBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215720 1072277589 /nfs/dbraw/zinc/27/75/89/1072277589.db2.gz LJAQUFVHUWVOBN-UONOGXRCSA-N 2 0 393.454 -0.120 20 0 GBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420215722 1072277796 /nfs/dbraw/zinc/27/77/96/1072277796.db2.gz LJAQUFVHUWVOBN-ZIAGYGMSSA-N 2 0 393.454 -0.120 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217711 1072277495 /nfs/dbraw/zinc/27/74/95/1072277495.db2.gz NAOBJLLOBBNTKY-CHWSQXEVSA-N 2 0 379.427 -0.461 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217713 1072278673 /nfs/dbraw/zinc/27/86/73/1072278673.db2.gz NAOBJLLOBBNTKY-OLZOCXBDSA-N 2 0 379.427 -0.461 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217715 1072278419 /nfs/dbraw/zinc/27/84/19/1072278419.db2.gz NAOBJLLOBBNTKY-QWHCGFSZSA-N 2 0 379.427 -0.461 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420217717 1072278344 /nfs/dbraw/zinc/27/83/44/1072278344.db2.gz NAOBJLLOBBNTKY-STQMWFEESA-N 2 0 379.427 -0.461 20 0 GBADRP CN(C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420217760 1072278574 /nfs/dbraw/zinc/27/85/74/1072278574.db2.gz NCZHHMKNWSLYTL-KBPBESRZSA-N 2 0 391.438 -0.366 20 0 GBADRP CN(C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420217762 1072278601 /nfs/dbraw/zinc/27/86/01/1072278601.db2.gz NCZHHMKNWSLYTL-KGLIPLIRSA-N 2 0 391.438 -0.366 20 0 GBADRP CN(C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420217764 1072278502 /nfs/dbraw/zinc/27/85/02/1072278502.db2.gz NCZHHMKNWSLYTL-UONOGXRCSA-N 2 0 391.438 -0.366 20 0 GBADRP CN(C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420217766 1072278438 /nfs/dbraw/zinc/27/84/38/1072278438.db2.gz NCZHHMKNWSLYTL-ZIAGYGMSSA-N 2 0 391.438 -0.366 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000420219573 1072278303 /nfs/dbraw/zinc/27/83/03/1072278303.db2.gz OXTVVIXWGWIMBQ-GOSISDBHSA-N 2 0 395.548 -0.502 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000420220071 1072278549 /nfs/dbraw/zinc/27/85/49/1072278549.db2.gz OXTVVIXWGWIMBQ-SFHVURJKSA-N 2 0 395.548 -0.502 20 0 GBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220117 1072278223 /nfs/dbraw/zinc/27/82/23/1072278223.db2.gz PFEKYPKMPBCLBB-AWEZNQCLSA-N 2 0 393.454 -0.117 20 0 GBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420220118 1072278207 /nfs/dbraw/zinc/27/82/07/1072278207.db2.gz PFEKYPKMPBCLBB-CQSZACIVSA-N 2 0 393.454 -0.117 20 0 GBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420220205 1072278718 /nfs/dbraw/zinc/27/87/18/1072278718.db2.gz PMBDVFLNNKQUAG-KBPBESRZSA-N 2 0 393.454 -0.119 20 0 GBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420220209 1072278251 /nfs/dbraw/zinc/27/82/51/1072278251.db2.gz PMBDVFLNNKQUAG-KGLIPLIRSA-N 2 0 393.454 -0.119 20 0 GBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420220210 1072278732 /nfs/dbraw/zinc/27/87/32/1072278732.db2.gz PMBDVFLNNKQUAG-UONOGXRCSA-N 2 0 393.454 -0.119 20 0 GBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420220213 1072278395 /nfs/dbraw/zinc/27/83/95/1072278395.db2.gz PMBDVFLNNKQUAG-ZIAGYGMSSA-N 2 0 393.454 -0.119 20 0 GBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221796 1072272830 /nfs/dbraw/zinc/27/28/30/1072272830.db2.gz QSYWCZIQSZLLBF-KBPBESRZSA-N 2 0 393.454 -0.261 20 0 GBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221797 1072272582 /nfs/dbraw/zinc/27/25/82/1072272582.db2.gz QSYWCZIQSZLLBF-KGLIPLIRSA-N 2 0 393.454 -0.261 20 0 GBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221798 1072272531 /nfs/dbraw/zinc/27/25/31/1072272531.db2.gz QSYWCZIQSZLLBF-UONOGXRCSA-N 2 0 393.454 -0.261 20 0 GBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420221799 1072272655 /nfs/dbraw/zinc/27/26/55/1072272655.db2.gz QSYWCZIQSZLLBF-ZIAGYGMSSA-N 2 0 393.454 -0.261 20 0 GBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222303 1072273003 /nfs/dbraw/zinc/27/30/03/1072273003.db2.gz RSKFSEWYOAKIRO-KBPBESRZSA-N 2 0 393.454 -0.261 20 0 GBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222304 1072273021 /nfs/dbraw/zinc/27/30/21/1072273021.db2.gz RSKFSEWYOAKIRO-KGLIPLIRSA-N 2 0 393.454 -0.261 20 0 GBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222305 1072272485 /nfs/dbraw/zinc/27/24/85/1072272485.db2.gz RSKFSEWYOAKIRO-UONOGXRCSA-N 2 0 393.454 -0.261 20 0 GBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420222306 1072272807 /nfs/dbraw/zinc/27/28/07/1072272807.db2.gz RSKFSEWYOAKIRO-ZIAGYGMSSA-N 2 0 393.454 -0.261 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000420223511 1072272452 /nfs/dbraw/zinc/27/24/52/1072272452.db2.gz VFCLMMGLLRMVLQ-CYBMUJFWSA-N 2 0 381.443 -0.215 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000420223512 1072273453 /nfs/dbraw/zinc/27/34/53/1072273453.db2.gz VFCLMMGLLRMVLQ-ZDUSSCGKSA-N 2 0 381.443 -0.215 20 0 GBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420224049 1072273678 /nfs/dbraw/zinc/27/36/78/1072273678.db2.gz WLKSDSDLGQZLOQ-CHWSQXEVSA-N 2 0 379.427 -0.509 20 0 GBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420224052 1072273505 /nfs/dbraw/zinc/27/35/05/1072273505.db2.gz WLKSDSDLGQZLOQ-OLZOCXBDSA-N 2 0 379.427 -0.509 20 0 GBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420224054 1072273526 /nfs/dbraw/zinc/27/35/26/1072273526.db2.gz WLKSDSDLGQZLOQ-QWHCGFSZSA-N 2 0 379.427 -0.509 20 0 GBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000420224057 1072273418 /nfs/dbraw/zinc/27/34/18/1072273418.db2.gz WLKSDSDLGQZLOQ-STQMWFEESA-N 2 0 379.427 -0.509 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224232 1072273285 /nfs/dbraw/zinc/27/32/85/1072273285.db2.gz WTIXOWTWKHQUEU-CYBMUJFWSA-N 2 0 381.443 -0.263 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224235 1072273751 /nfs/dbraw/zinc/27/37/51/1072273751.db2.gz WTIXOWTWKHQUEU-ZDUSSCGKSA-N 2 0 381.443 -0.263 20 0 GBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224271 1072273714 /nfs/dbraw/zinc/27/37/14/1072273714.db2.gz WVHOFVUQOKHRAT-CHWSQXEVSA-N 2 0 379.427 -0.509 20 0 GBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224273 1072273331 /nfs/dbraw/zinc/27/33/31/1072273331.db2.gz WVHOFVUQOKHRAT-OLZOCXBDSA-N 2 0 379.427 -0.509 20 0 GBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224274 1072273306 /nfs/dbraw/zinc/27/33/06/1072273306.db2.gz WVHOFVUQOKHRAT-QWHCGFSZSA-N 2 0 379.427 -0.509 20 0 GBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224276 1072273561 /nfs/dbraw/zinc/27/35/61/1072273561.db2.gz WVHOFVUQOKHRAT-STQMWFEESA-N 2 0 379.427 -0.509 20 0 GBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000420445941 530350169 /nfs/dbraw/zinc/35/01/69/530350169.db2.gz AWJWCZDDFRUXKN-UHFFFAOYSA-N 2 0 378.520 -0.706 20 0 GBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000420449040 530350266 /nfs/dbraw/zinc/35/02/66/530350266.db2.gz FPRSYJOFRRVSIZ-UHFFFAOYSA-N 2 0 390.531 -0.184 20 0 GBADRP CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(F)c1 ZINC000420452398 530350189 /nfs/dbraw/zinc/35/01/89/530350189.db2.gz JECHVKJAAPTXBX-UHFFFAOYSA-N 2 0 382.483 -0.115 20 0 GBADRP CNS(=O)(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C ZINC000420453424 530350043 /nfs/dbraw/zinc/35/00/43/530350043.db2.gz KFPIYTUWPXKNFT-UHFFFAOYSA-N 2 0 378.520 -0.409 20 0 GBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000420460113 530350163 /nfs/dbraw/zinc/35/01/63/530350163.db2.gz RTKLXGVURRXQGL-UHFFFAOYSA-N 2 0 390.531 -0.184 20 0 GBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000420601683 1072290887 /nfs/dbraw/zinc/29/08/87/1072290887.db2.gz NWVIVSJEOBMURI-UHFFFAOYSA-N 2 0 383.537 -0.643 20 0 GBADRP C[C@@H]1CC[C@H](O)C[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421028638 1072308747 /nfs/dbraw/zinc/30/87/47/1072308747.db2.gz WLHZRNRFYMDGQD-BDXSIMOUSA-N 2 0 396.532 -0.652 20 0 GBADRP COCC(COC)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000421517645 1072330337 /nfs/dbraw/zinc/33/03/37/1072330337.db2.gz NPYWKLXMNZBWJC-INIZCTEOSA-N 2 0 384.521 -0.360 20 0 GBADRP COCC(COC)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000421517646 1072330683 /nfs/dbraw/zinc/33/06/83/1072330683.db2.gz NPYWKLXMNZBWJC-MRXNPFEDSA-N 2 0 384.521 -0.360 20 0 GBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000421523808 1072330778 /nfs/dbraw/zinc/33/07/78/1072330778.db2.gz UIANBDZTZOGNDJ-KRWDZBQOSA-N 2 0 396.532 -0.168 20 0 GBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000421523811 1072331037 /nfs/dbraw/zinc/33/10/37/1072331037.db2.gz UIANBDZTZOGNDJ-QGZVFWFLSA-N 2 0 396.532 -0.168 20 0 GBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000422111501 1072353559 /nfs/dbraw/zinc/35/35/59/1072353559.db2.gz DFJZBWNUOGUFGK-INIZCTEOSA-N 2 0 379.505 -0.694 20 0 GBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000422111503 1072353064 /nfs/dbraw/zinc/35/30/64/1072353064.db2.gz DFJZBWNUOGUFGK-MRXNPFEDSA-N 2 0 379.505 -0.694 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422111825 1072353136 /nfs/dbraw/zinc/35/31/36/1072353136.db2.gz DOMYUSKGSHJSGG-INIZCTEOSA-N 2 0 381.521 -0.448 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422111828 1072353262 /nfs/dbraw/zinc/35/32/62/1072353262.db2.gz DOMYUSKGSHJSGG-MRXNPFEDSA-N 2 0 381.521 -0.448 20 0 GBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422177836 1072760559 /nfs/dbraw/zinc/76/05/59/1072760559.db2.gz CGSFBCMJLFLTNI-KRWDZBQOSA-N 2 0 397.564 -0.254 20 0 GBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422177843 1072760202 /nfs/dbraw/zinc/76/02/02/1072760202.db2.gz CGSFBCMJLFLTNI-QGZVFWFLSA-N 2 0 397.564 -0.254 20 0 GBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280450 1072434876 /nfs/dbraw/zinc/43/48/76/1072434876.db2.gz HLFVIYWUGBMQDU-CVEARBPZSA-N 2 0 381.521 -0.369 20 0 GBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280453 1072435133 /nfs/dbraw/zinc/43/51/33/1072435133.db2.gz HLFVIYWUGBMQDU-HOTGVXAUSA-N 2 0 381.521 -0.369 20 0 GBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000422280455 1072434839 /nfs/dbraw/zinc/43/48/39/1072434839.db2.gz HLFVIYWUGBMQDU-HZPDHXFCSA-N 2 0 381.521 -0.369 20 0 GBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000422280456 1072435096 /nfs/dbraw/zinc/43/50/96/1072435096.db2.gz HLFVIYWUGBMQDU-JKSUJKDBSA-N 2 0 381.521 -0.369 20 0 GBADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000422280994 1072434945 /nfs/dbraw/zinc/43/49/45/1072434945.db2.gz ASRLFPVXKZERGM-UHFFFAOYSA-N 2 0 397.564 -0.301 20 0 GBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422283944 1072435960 /nfs/dbraw/zinc/43/59/60/1072435960.db2.gz OMUJLZRRZASKKD-UHFFFAOYSA-N 2 0 397.564 -0.253 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422291037 1072436063 /nfs/dbraw/zinc/43/60/63/1072436063.db2.gz FNTFWCSQOFDDBN-DLBZAZTESA-N 2 0 395.548 -0.107 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422291038 1072437164 /nfs/dbraw/zinc/43/71/64/1072437164.db2.gz FNTFWCSQOFDDBN-IAGOWNOFSA-N 2 0 395.548 -0.107 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422291039 1072436919 /nfs/dbraw/zinc/43/69/19/1072436919.db2.gz FNTFWCSQOFDDBN-IRXDYDNUSA-N 2 0 395.548 -0.107 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422291040 1072436825 /nfs/dbraw/zinc/43/68/25/1072436825.db2.gz FNTFWCSQOFDDBN-SJORKVTESA-N 2 0 395.548 -0.107 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422293488 1072436886 /nfs/dbraw/zinc/43/68/86/1072436886.db2.gz LBRZKSCYVOFYLU-CVEARBPZSA-N 2 0 381.521 -0.402 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422293490 1072436590 /nfs/dbraw/zinc/43/65/90/1072436590.db2.gz LBRZKSCYVOFYLU-HOTGVXAUSA-N 2 0 381.521 -0.402 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422293492 1072436500 /nfs/dbraw/zinc/43/65/00/1072436500.db2.gz LBRZKSCYVOFYLU-HZPDHXFCSA-N 2 0 381.521 -0.402 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422293494 1072437124 /nfs/dbraw/zinc/43/71/24/1072437124.db2.gz LBRZKSCYVOFYLU-JKSUJKDBSA-N 2 0 381.521 -0.402 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000422295381 1072436722 /nfs/dbraw/zinc/43/67/22/1072436722.db2.gz NNGIXLKKKOWRPB-UHFFFAOYSA-N 2 0 395.548 -0.500 20 0 GBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302773 1072437567 /nfs/dbraw/zinc/43/75/67/1072437567.db2.gz WTTUVSFGLASQCA-DLBZAZTESA-N 2 0 395.548 -0.014 20 0 GBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000422302779 1072437880 /nfs/dbraw/zinc/43/78/80/1072437880.db2.gz WTTUVSFGLASQCA-IAGOWNOFSA-N 2 0 395.548 -0.014 20 0 GBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302781 1072437838 /nfs/dbraw/zinc/43/78/38/1072437838.db2.gz WTTUVSFGLASQCA-IRXDYDNUSA-N 2 0 395.548 -0.014 20 0 GBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000422302784 1072438987 /nfs/dbraw/zinc/43/89/87/1072438987.db2.gz WTTUVSFGLASQCA-SJORKVTESA-N 2 0 395.548 -0.014 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422304628 1072438752 /nfs/dbraw/zinc/43/87/52/1072438752.db2.gz YZNRYOQPRYHUKR-KRWDZBQOSA-N 2 0 397.564 -0.254 20 0 GBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422304630 1072438860 /nfs/dbraw/zinc/43/88/60/1072438860.db2.gz YZNRYOQPRYHUKR-QGZVFWFLSA-N 2 0 397.564 -0.254 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000422329376 1072440524 /nfs/dbraw/zinc/44/05/24/1072440524.db2.gz IPJMOCFMXLFJOI-UHFFFAOYSA-N 2 0 395.548 -0.500 20 0 GBADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000422374965 1072444563 /nfs/dbraw/zinc/44/45/63/1072444563.db2.gz IVCBZNVBKPVRDK-UHFFFAOYSA-N 2 0 397.564 -0.301 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422376355 1072444744 /nfs/dbraw/zinc/44/47/44/1072444744.db2.gz LCPVSCMWHFYGBN-UHFFFAOYSA-N 2 0 397.564 -0.253 20 0 GBADRP C[C@H]1[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000422421003 1072447849 /nfs/dbraw/zinc/44/78/49/1072447849.db2.gz BYYSBLDQFHDBKP-DLBZAZTESA-N 2 0 395.548 -0.502 20 0 GBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000422421004 1072447841 /nfs/dbraw/zinc/44/78/41/1072447841.db2.gz BYYSBLDQFHDBKP-IAGOWNOFSA-N 2 0 395.548 -0.502 20 0 GBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000422421006 1072447799 /nfs/dbraw/zinc/44/77/99/1072447799.db2.gz BYYSBLDQFHDBKP-IRXDYDNUSA-N 2 0 395.548 -0.502 20 0 GBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000422421008 1072447737 /nfs/dbraw/zinc/44/77/37/1072447737.db2.gz BYYSBLDQFHDBKP-SJORKVTESA-N 2 0 395.548 -0.502 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422432824 1072451248 /nfs/dbraw/zinc/45/12/48/1072451248.db2.gz NQBYUBGJEJKGHH-QGZVFWFLSA-N 2 0 397.564 -0.254 20 0 GBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000422452573 1072451398 /nfs/dbraw/zinc/45/13/98/1072451398.db2.gz GOGSMCOUPDAOGP-KRWDZBQOSA-N 2 0 393.532 -0.258 20 0 GBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000422452576 1072451421 /nfs/dbraw/zinc/45/14/21/1072451421.db2.gz GOGSMCOUPDAOGP-QGZVFWFLSA-N 2 0 393.532 -0.258 20 0 GBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000422459319 1072453950 /nfs/dbraw/zinc/45/39/50/1072453950.db2.gz YKQJGTDUAAFSCG-UHFFFAOYSA-N 2 0 393.532 -0.256 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422471426 1072452924 /nfs/dbraw/zinc/45/29/24/1072452924.db2.gz JJXBVONCNITEKA-KRWDZBQOSA-N 2 0 398.467 -0.285 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422471427 1072452938 /nfs/dbraw/zinc/45/29/38/1072452938.db2.gz JJXBVONCNITEKA-QGZVFWFLSA-N 2 0 398.467 -0.285 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000422472195 1072453143 /nfs/dbraw/zinc/45/31/43/1072453143.db2.gz LLJWJGMUJBYAIX-UHFFFAOYSA-N 2 0 398.467 -0.283 20 0 GBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000422494038 1072455701 /nfs/dbraw/zinc/45/57/01/1072455701.db2.gz QRRNJIIXLCHOLW-KRWDZBQOSA-N 2 0 393.532 -0.399 20 0 GBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000422494039 1072455759 /nfs/dbraw/zinc/45/57/59/1072455759.db2.gz QRRNJIIXLCHOLW-QGZVFWFLSA-N 2 0 393.532 -0.399 20 0 GBADRP COC(=O)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000422494550 1072454966 /nfs/dbraw/zinc/45/49/66/1072454966.db2.gz REWMDCUYZHDBAI-CVEARBPZSA-N 2 0 382.505 -0.070 20 0 GBADRP COC(=O)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000422494553 1072454875 /nfs/dbraw/zinc/45/48/75/1072454875.db2.gz REWMDCUYZHDBAI-HOTGVXAUSA-N 2 0 382.505 -0.070 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000422496310 1072455858 /nfs/dbraw/zinc/45/58/58/1072455858.db2.gz TVWJLIDCIDATRA-DLBZAZTESA-N 2 0 393.532 -0.401 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000422496311 1072455843 /nfs/dbraw/zinc/45/58/43/1072455843.db2.gz TVWJLIDCIDATRA-IAGOWNOFSA-N 2 0 393.532 -0.401 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000422496312 1072455953 /nfs/dbraw/zinc/45/59/53/1072455953.db2.gz TVWJLIDCIDATRA-IRXDYDNUSA-N 2 0 393.532 -0.401 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1 ZINC000422496313 1072455367 /nfs/dbraw/zinc/45/53/67/1072455367.db2.gz TVWJLIDCIDATRA-SJORKVTESA-N 2 0 393.532 -0.401 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422496965 1072455729 /nfs/dbraw/zinc/45/57/29/1072455729.db2.gz UTPSXRFUSJKCHR-KRWDZBQOSA-N 2 0 395.548 -0.153 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422496966 1072455827 /nfs/dbraw/zinc/45/58/27/1072455827.db2.gz UTPSXRFUSJKCHR-QGZVFWFLSA-N 2 0 395.548 -0.153 20 0 GBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000422501323 1072461525 /nfs/dbraw/zinc/46/15/25/1072461525.db2.gz GEOUKADYUISMDX-KRWDZBQOSA-N 2 0 395.548 -0.548 20 0 GBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000422501326 1072461454 /nfs/dbraw/zinc/46/14/54/1072461454.db2.gz GEOUKADYUISMDX-QGZVFWFLSA-N 2 0 395.548 -0.548 20 0 GBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422501366 1072461383 /nfs/dbraw/zinc/46/13/83/1072461383.db2.gz GLGRPTPCJMEXAM-UHFFFAOYSA-N 2 0 397.564 -0.301 20 0 GBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422501436 1072461445 /nfs/dbraw/zinc/46/14/45/1072461445.db2.gz GSLBOIZBYVIVCV-UHFFFAOYSA-N 2 0 397.564 -0.253 20 0 GBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422502020 1072462225 /nfs/dbraw/zinc/46/22/25/1072462225.db2.gz IQYUIRNMRUSTBX-UHFFFAOYSA-N 2 0 395.548 -0.547 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422503186 1072458201 /nfs/dbraw/zinc/45/82/01/1072458201.db2.gz MIXIVYMHBMQPPU-UHFFFAOYSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504242 1072457889 /nfs/dbraw/zinc/45/78/89/1072457889.db2.gz PTEURJWOEBQEIE-KRWDZBQOSA-N 2 0 395.548 -0.500 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422504243 1072458161 /nfs/dbraw/zinc/45/81/61/1072458161.db2.gz PTEURJWOEBQEIE-QGZVFWFLSA-N 2 0 395.548 -0.500 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(C)C ZINC000422506016 1072458849 /nfs/dbraw/zinc/45/88/49/1072458849.db2.gz VAGISOPZYXTUIH-UHFFFAOYSA-N 2 0 397.564 -0.254 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422506038 1072458813 /nfs/dbraw/zinc/45/88/13/1072458813.db2.gz VDOGAJXCRWRZAQ-UHFFFAOYSA-N 2 0 397.564 -0.302 20 0 GBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000422507529 1072458890 /nfs/dbraw/zinc/45/88/90/1072458890.db2.gz ZKIKOGGSPJTYLL-UHFFFAOYSA-N 2 0 395.548 -0.547 20 0 GBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000422626099 1072468843 /nfs/dbraw/zinc/46/88/43/1072468843.db2.gz IUGDLYXYUUYSPH-UHFFFAOYSA-N 2 0 393.532 -0.258 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422629951 1072469316 /nfs/dbraw/zinc/46/93/16/1072469316.db2.gz YDCCGOQMKJOULR-UHFFFAOYSA-N 2 0 395.548 -0.012 20 0 GBADRP COC[C@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422712029 1072470581 /nfs/dbraw/zinc/47/05/81/1072470581.db2.gz NSNHYBBKVVQQBY-INIZCTEOSA-N 2 0 385.534 -0.123 20 0 GBADRP COC[C@@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000422712056 1072470674 /nfs/dbraw/zinc/47/06/74/1072470674.db2.gz NSNHYBBKVVQQBY-MRXNPFEDSA-N 2 0 385.534 -0.123 20 0 GBADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911939 1072478458 /nfs/dbraw/zinc/47/84/58/1072478458.db2.gz LTYCDGPFYHQEBQ-DLBZAZTESA-N 2 0 396.532 -0.170 20 0 GBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911940 1072478374 /nfs/dbraw/zinc/47/83/74/1072478374.db2.gz LTYCDGPFYHQEBQ-IAGOWNOFSA-N 2 0 396.532 -0.170 20 0 GBADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911941 1072478447 /nfs/dbraw/zinc/47/84/47/1072478447.db2.gz LTYCDGPFYHQEBQ-IRXDYDNUSA-N 2 0 396.532 -0.170 20 0 GBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000422911942 1072478394 /nfs/dbraw/zinc/47/83/94/1072478394.db2.gz LTYCDGPFYHQEBQ-SJORKVTESA-N 2 0 396.532 -0.170 20 0 GBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976573 1072483495 /nfs/dbraw/zinc/48/34/95/1072483495.db2.gz VIESNSLCBGNCBF-CHWSQXEVSA-N 2 0 379.427 -0.509 20 0 GBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976574 1072483601 /nfs/dbraw/zinc/48/36/01/1072483601.db2.gz VIESNSLCBGNCBF-OLZOCXBDSA-N 2 0 379.427 -0.509 20 0 GBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976575 1072483623 /nfs/dbraw/zinc/48/36/23/1072483623.db2.gz VIESNSLCBGNCBF-QWHCGFSZSA-N 2 0 379.427 -0.509 20 0 GBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000422976576 1072483581 /nfs/dbraw/zinc/48/35/81/1072483581.db2.gz VIESNSLCBGNCBF-STQMWFEESA-N 2 0 379.427 -0.509 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000423057926 1072491970 /nfs/dbraw/zinc/49/19/70/1072491970.db2.gz IMPURDYDIDNNTK-INIZCTEOSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000423057927 1072491794 /nfs/dbraw/zinc/49/17/94/1072491794.db2.gz IMPURDYDIDNNTK-MRXNPFEDSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)nn1 ZINC000423059265 1072491901 /nfs/dbraw/zinc/49/19/01/1072491901.db2.gz LJMYJUYTUSQAFD-KRWDZBQOSA-N 2 0 389.504 -0.013 20 0 GBADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)nn1 ZINC000423059266 1072491833 /nfs/dbraw/zinc/49/18/33/1072491833.db2.gz LJMYJUYTUSQAFD-QGZVFWFLSA-N 2 0 389.504 -0.013 20 0 GBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423060016 1072492045 /nfs/dbraw/zinc/49/20/45/1072492045.db2.gz HDCRRZDOOBATNN-KRWDZBQOSA-N 2 0 395.548 -0.297 20 0 GBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423060017 1072491940 /nfs/dbraw/zinc/49/19/40/1072491940.db2.gz HDCRRZDOOBATNN-QGZVFWFLSA-N 2 0 395.548 -0.297 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000423062714 1072491781 /nfs/dbraw/zinc/49/17/81/1072491781.db2.gz UUNMIFHFEBDEAJ-HNNXBMFYSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000423062715 1072492005 /nfs/dbraw/zinc/49/20/05/1072492005.db2.gz UUNMIFHFEBDEAJ-OAHLLOKOSA-N 2 0 379.505 -0.613 20 0 GBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423063651 1072492848 /nfs/dbraw/zinc/49/28/48/1072492848.db2.gz XBBYDBGXKHCWHS-DLBZAZTESA-N 2 0 393.532 -0.401 20 0 GBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423063652 1072492998 /nfs/dbraw/zinc/49/29/98/1072492998.db2.gz XBBYDBGXKHCWHS-IAGOWNOFSA-N 2 0 393.532 -0.401 20 0 GBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423063653 1072493011 /nfs/dbraw/zinc/49/30/11/1072493011.db2.gz XBBYDBGXKHCWHS-IRXDYDNUSA-N 2 0 393.532 -0.401 20 0 GBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000423063654 1072492730 /nfs/dbraw/zinc/49/27/30/1072492730.db2.gz XBBYDBGXKHCWHS-SJORKVTESA-N 2 0 393.532 -0.401 20 0 GBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423085741 1072497599 /nfs/dbraw/zinc/49/75/99/1072497599.db2.gz LHOGPZNVCXSYEU-KRWDZBQOSA-N 2 0 395.548 -0.120 20 0 GBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423085742 1072497383 /nfs/dbraw/zinc/49/73/83/1072497383.db2.gz LHOGPZNVCXSYEU-QGZVFWFLSA-N 2 0 395.548 -0.120 20 0 GBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423090512 1072497372 /nfs/dbraw/zinc/49/73/72/1072497372.db2.gz XVRSOHGSPGWKHI-GOSISDBHSA-N 2 0 377.533 -0.173 20 0 GBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423090513 1072497499 /nfs/dbraw/zinc/49/74/99/1072497499.db2.gz XVRSOHGSPGWKHI-SFHVURJKSA-N 2 0 377.533 -0.173 20 0 GBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423097833 1072498226 /nfs/dbraw/zinc/49/82/26/1072498226.db2.gz RHADFRIFOKKOST-INIZCTEOSA-N 2 0 395.548 -0.107 20 0 GBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423097834 1072498297 /nfs/dbraw/zinc/49/82/97/1072498297.db2.gz RHADFRIFOKKOST-MRXNPFEDSA-N 2 0 395.548 -0.107 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423158882 1072501294 /nfs/dbraw/zinc/50/12/94/1072501294.db2.gz XHKCJLDSQJONPQ-CVEARBPZSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423158883 1072500992 /nfs/dbraw/zinc/50/09/92/1072500992.db2.gz XHKCJLDSQJONPQ-HOTGVXAUSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423158884 1072500695 /nfs/dbraw/zinc/50/06/95/1072500695.db2.gz XHKCJLDSQJONPQ-HZPDHXFCSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423158885 1072501454 /nfs/dbraw/zinc/50/14/54/1072501454.db2.gz XHKCJLDSQJONPQ-JKSUJKDBSA-N 2 0 379.505 -0.613 20 0 GBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000423160800 1072501060 /nfs/dbraw/zinc/50/10/60/1072501060.db2.gz HWJAHVPXSTVHPY-KRWDZBQOSA-N 2 0 391.516 -0.016 20 0 GBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000423160802 1072501030 /nfs/dbraw/zinc/50/10/30/1072501030.db2.gz HWJAHVPXSTVHPY-QGZVFWFLSA-N 2 0 391.516 -0.016 20 0 GBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000423163015 1072502383 /nfs/dbraw/zinc/50/23/83/1072502383.db2.gz MCDAEAGRWBXUCL-KRWDZBQOSA-N 2 0 391.516 -0.016 20 0 GBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000423163016 1072502203 /nfs/dbraw/zinc/50/22/03/1072502203.db2.gz MCDAEAGRWBXUCL-QGZVFWFLSA-N 2 0 391.516 -0.016 20 0 GBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423166787 1072502522 /nfs/dbraw/zinc/50/25/22/1072502522.db2.gz DGKWMUDQVGCIJF-INIZCTEOSA-N 2 0 395.548 -0.120 20 0 GBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423166788 1072502154 /nfs/dbraw/zinc/50/21/54/1072502154.db2.gz DGKWMUDQVGCIJF-MRXNPFEDSA-N 2 0 395.548 -0.120 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000423172814 1072501716 /nfs/dbraw/zinc/50/17/16/1072501716.db2.gz VKLSFQXPQGBOAO-DLBZAZTESA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000423172815 1072502066 /nfs/dbraw/zinc/50/20/66/1072502066.db2.gz VKLSFQXPQGBOAO-IAGOWNOFSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000423172816 1072501908 /nfs/dbraw/zinc/50/19/08/1072501908.db2.gz VKLSFQXPQGBOAO-IRXDYDNUSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000423172817 1072502039 /nfs/dbraw/zinc/50/20/39/1072502039.db2.gz VKLSFQXPQGBOAO-SJORKVTESA-N 2 0 393.532 -0.223 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC[NH2+]1 ZINC000423191657 1072504260 /nfs/dbraw/zinc/50/42/60/1072504260.db2.gz UPPUKADDLWJJBZ-HNNXBMFYSA-N 2 0 395.548 -0.251 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC[NH2+]1 ZINC000423191658 1072504327 /nfs/dbraw/zinc/50/43/27/1072504327.db2.gz UPPUKADDLWJJBZ-OAHLLOKOSA-N 2 0 395.548 -0.251 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000423199639 1072505225 /nfs/dbraw/zinc/50/52/25/1072505225.db2.gz KGLTVEXHQBYFAS-CVEARBPZSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000423199640 1072504942 /nfs/dbraw/zinc/50/49/42/1072504942.db2.gz KGLTVEXHQBYFAS-HOTGVXAUSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000423199641 1072504878 /nfs/dbraw/zinc/50/48/78/1072504878.db2.gz KGLTVEXHQBYFAS-HZPDHXFCSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000423199642 1072504721 /nfs/dbraw/zinc/50/47/21/1072504721.db2.gz KGLTVEXHQBYFAS-JKSUJKDBSA-N 2 0 379.505 -0.613 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423205262 1072504920 /nfs/dbraw/zinc/50/49/20/1072504920.db2.gz FBTSXXHIBNVSKP-BBWFWOEESA-N 2 0 381.521 -0.811 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423205263 1072505108 /nfs/dbraw/zinc/50/51/08/1072505108.db2.gz FBTSXXHIBNVSKP-BRWVUGGUSA-N 2 0 381.521 -0.811 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423205264 1072504839 /nfs/dbraw/zinc/50/48/39/1072504839.db2.gz FBTSXXHIBNVSKP-IXDOHACOSA-N 2 0 381.521 -0.811 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423205265 1072505356 /nfs/dbraw/zinc/50/53/56/1072505356.db2.gz FBTSXXHIBNVSKP-ZACQAIPSSA-N 2 0 381.521 -0.811 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000423205784 1072502942 /nfs/dbraw/zinc/50/29/42/1072502942.db2.gz BLLWPAOTUMIDDM-INIZCTEOSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000423205785 1072503099 /nfs/dbraw/zinc/50/30/99/1072503099.db2.gz BLLWPAOTUMIDDM-MRXNPFEDSA-N 2 0 393.532 -0.223 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210983 1072503406 /nfs/dbraw/zinc/50/34/06/1072503406.db2.gz KJRBGROAIRBCFR-DLBZAZTESA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210984 1072503351 /nfs/dbraw/zinc/50/33/51/1072503351.db2.gz KJRBGROAIRBCFR-IAGOWNOFSA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210985 1072502830 /nfs/dbraw/zinc/50/28/30/1072502830.db2.gz KJRBGROAIRBCFR-IRXDYDNUSA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423210986 1072502854 /nfs/dbraw/zinc/50/28/54/1072502854.db2.gz KJRBGROAIRBCFR-SJORKVTESA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423212398 1072502885 /nfs/dbraw/zinc/50/28/85/1072502885.db2.gz LRTWMXWYJLDCBF-DLBZAZTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423212399 1072503483 /nfs/dbraw/zinc/50/34/83/1072503483.db2.gz LRTWMXWYJLDCBF-IAGOWNOFSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423212400 1072503267 /nfs/dbraw/zinc/50/32/67/1072503267.db2.gz LRTWMXWYJLDCBF-IRXDYDNUSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423212401 1072503073 /nfs/dbraw/zinc/50/30/73/1072503073.db2.gz LRTWMXWYJLDCBF-SJORKVTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423214736 1072505756 /nfs/dbraw/zinc/50/57/56/1072505756.db2.gz PJTVKFRVULKXSN-KSZLIROESA-N 2 0 396.532 -0.090 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423214741 1072506272 /nfs/dbraw/zinc/50/62/72/1072506272.db2.gz PJTVKFRVULKXSN-KURKYZTESA-N 2 0 396.532 -0.090 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423214791 1072505944 /nfs/dbraw/zinc/50/59/44/1072505944.db2.gz PNEFSUQZKBPEAQ-DLBZAZTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423214793 1072505606 /nfs/dbraw/zinc/50/56/06/1072505606.db2.gz PNEFSUQZKBPEAQ-IAGOWNOFSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423214795 1072506289 /nfs/dbraw/zinc/50/62/89/1072506289.db2.gz PNEFSUQZKBPEAQ-IRXDYDNUSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423214797 1072506160 /nfs/dbraw/zinc/50/61/60/1072506160.db2.gz PNEFSUQZKBPEAQ-SJORKVTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423215903 1072505889 /nfs/dbraw/zinc/50/58/89/1072505889.db2.gz RBEUZNYUGBCVFL-FGTMMUONSA-N 2 0 395.548 -0.420 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423215916 1072505697 /nfs/dbraw/zinc/50/56/97/1072505697.db2.gz RBEUZNYUGBCVFL-KSZLIROESA-N 2 0 395.548 -0.420 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423215919 1072506015 /nfs/dbraw/zinc/50/60/15/1072506015.db2.gz RBEUZNYUGBCVFL-KURKYZTESA-N 2 0 395.548 -0.420 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423215922 1072505638 /nfs/dbraw/zinc/50/56/38/1072505638.db2.gz RBEUZNYUGBCVFL-KZNAEPCWSA-N 2 0 395.548 -0.420 20 0 GBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423216648 1072505662 /nfs/dbraw/zinc/50/56/62/1072505662.db2.gz SDXLYGKWVOTWHD-INIZCTEOSA-N 2 0 379.505 -0.789 20 0 GBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423216649 1072506219 /nfs/dbraw/zinc/50/62/19/1072506219.db2.gz SDXLYGKWVOTWHD-MRXNPFEDSA-N 2 0 379.505 -0.789 20 0 GBADRP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423222555 1072506847 /nfs/dbraw/zinc/50/68/47/1072506847.db2.gz BPXPJZWQZSKVDK-MSOLQXFVSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423222556 1072506842 /nfs/dbraw/zinc/50/68/42/1072506842.db2.gz BPXPJZWQZSKVDK-QZTJIDSGSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423222557 1072507238 /nfs/dbraw/zinc/50/72/38/1072507238.db2.gz BPXPJZWQZSKVDK-ROUUACIJSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423222558 1072506706 /nfs/dbraw/zinc/50/67/06/1072506706.db2.gz BPXPJZWQZSKVDK-ZWKOTPCHSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423225172 1072506954 /nfs/dbraw/zinc/50/69/54/1072506954.db2.gz LPBDBGVUDRRRQV-MSOLQXFVSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423225173 1072506864 /nfs/dbraw/zinc/50/68/64/1072506864.db2.gz LPBDBGVUDRRRQV-QZTJIDSGSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423225174 1072507145 /nfs/dbraw/zinc/50/71/45/1072507145.db2.gz LPBDBGVUDRRRQV-ROUUACIJSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423225175 1072506698 /nfs/dbraw/zinc/50/66/98/1072506698.db2.gz LPBDBGVUDRRRQV-ZWKOTPCHSA-N 2 0 377.533 -0.031 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423226907 1072507160 /nfs/dbraw/zinc/50/71/60/1072507160.db2.gz SSZULGWPLSRJAI-DLBZAZTESA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000423226908 1072506684 /nfs/dbraw/zinc/50/66/84/1072506684.db2.gz SSZULGWPLSRJAI-IAGOWNOFSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423226909 1072507210 /nfs/dbraw/zinc/50/72/10/1072507210.db2.gz SSZULGWPLSRJAI-IRXDYDNUSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000423226910 1072507187 /nfs/dbraw/zinc/50/71/87/1072507187.db2.gz SSZULGWPLSRJAI-SJORKVTESA-N 2 0 393.532 -0.223 20 0 GBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234718 1072504673 /nfs/dbraw/zinc/50/46/73/1072504673.db2.gz FWYZURDUVIXPLE-CVEARBPZSA-N 2 0 379.505 -0.791 20 0 GBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234719 1072505827 /nfs/dbraw/zinc/50/58/27/1072505827.db2.gz FWYZURDUVIXPLE-HOTGVXAUSA-N 2 0 379.505 -0.791 20 0 GBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234720 1072506231 /nfs/dbraw/zinc/50/62/31/1072506231.db2.gz FWYZURDUVIXPLE-HZPDHXFCSA-N 2 0 379.505 -0.791 20 0 GBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423234721 1072506180 /nfs/dbraw/zinc/50/61/80/1072506180.db2.gz FWYZURDUVIXPLE-JKSUJKDBSA-N 2 0 379.505 -0.791 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423239602 1072505683 /nfs/dbraw/zinc/50/56/83/1072505683.db2.gz BKTNRCXMRATYIR-CVEARBPZSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423239603 1072506085 /nfs/dbraw/zinc/50/60/85/1072506085.db2.gz BKTNRCXMRATYIR-HOTGVXAUSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423239604 1072505728 /nfs/dbraw/zinc/50/57/28/1072505728.db2.gz BKTNRCXMRATYIR-HZPDHXFCSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423239605 1072505810 /nfs/dbraw/zinc/50/58/10/1072505810.db2.gz BKTNRCXMRATYIR-JKSUJKDBSA-N 2 0 379.505 -0.933 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000423241140 1072508934 /nfs/dbraw/zinc/50/89/34/1072508934.db2.gz DDUBQGXPQUGLFV-DNVCBOLYSA-N 2 0 379.505 -0.804 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000423242301 1072508381 /nfs/dbraw/zinc/50/83/81/1072508381.db2.gz FGAWOJLMAZUYSM-UHFFFAOYSA-N 2 0 395.548 -0.153 20 0 GBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000423243026 1072508878 /nfs/dbraw/zinc/50/88/78/1072508878.db2.gz GBZDFGYNXRUTDU-UHFFFAOYSA-N 2 0 393.532 -0.399 20 0 GBADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000423243513 1072508593 /nfs/dbraw/zinc/50/85/93/1072508593.db2.gz GIUNMTDCFPZEND-UHFFFAOYSA-N 2 0 379.505 -0.789 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000423243993 1072509386 /nfs/dbraw/zinc/50/93/86/1072509386.db2.gz HDKOSQSRDIUUGI-INIZCTEOSA-N 2 0 381.521 -0.543 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000423243994 1072509332 /nfs/dbraw/zinc/50/93/32/1072509332.db2.gz HDKOSQSRDIUUGI-MRXNPFEDSA-N 2 0 381.521 -0.543 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC1 ZINC000423245000 1072509734 /nfs/dbraw/zinc/50/97/34/1072509734.db2.gz IINFWIUKJZXZSG-UHFFFAOYSA-N 2 0 381.521 -0.543 20 0 GBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000423247242 1072509373 /nfs/dbraw/zinc/50/93/73/1072509373.db2.gz KVZJYUKYKSHBSH-INIZCTEOSA-N 2 0 379.505 -0.660 20 0 GBADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000423247243 1072509453 /nfs/dbraw/zinc/50/94/53/1072509453.db2.gz KVZJYUKYKSHBSH-MRXNPFEDSA-N 2 0 379.505 -0.660 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423247278 1072509369 /nfs/dbraw/zinc/50/93/69/1072509369.db2.gz KZCVZGSYAPHZMG-IBGZPJMESA-N 2 0 379.505 -0.789 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423247279 1072510177 /nfs/dbraw/zinc/51/01/77/1072510177.db2.gz KZCVZGSYAPHZMG-LJQANCHMSA-N 2 0 379.505 -0.789 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423247288 1072509892 /nfs/dbraw/zinc/50/98/92/1072509892.db2.gz LADUNODQCBAKFH-CVEARBPZSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423247289 1072509382 /nfs/dbraw/zinc/50/93/82/1072509382.db2.gz LADUNODQCBAKFH-HOTGVXAUSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423247290 1072510080 /nfs/dbraw/zinc/51/00/80/1072510080.db2.gz LADUNODQCBAKFH-HZPDHXFCSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423247291 1072509769 /nfs/dbraw/zinc/50/97/69/1072509769.db2.gz LADUNODQCBAKFH-JKSUJKDBSA-N 2 0 379.505 -0.933 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423249656 1072509756 /nfs/dbraw/zinc/50/97/56/1072509756.db2.gz PELNWESYOVGOON-HNNXBMFYSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423249657 1072509796 /nfs/dbraw/zinc/50/97/96/1072509796.db2.gz PELNWESYOVGOON-OAHLLOKOSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423250021 1072509422 /nfs/dbraw/zinc/50/94/22/1072509422.db2.gz PUZRVXHSVZHUDO-UHFFFAOYSA-N 2 0 393.532 -0.399 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423251687 1072509390 /nfs/dbraw/zinc/50/93/90/1072509390.db2.gz SKNRLJKSYOQTMS-DNVCBOLYSA-N 2 0 381.521 -0.558 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423252097 1072509856 /nfs/dbraw/zinc/50/98/56/1072509856.db2.gz TWMOTCCBCSFHML-CVEARBPZSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423252098 1072510131 /nfs/dbraw/zinc/51/01/31/1072510131.db2.gz TWMOTCCBCSFHML-HOTGVXAUSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423252099 1072509317 /nfs/dbraw/zinc/50/93/17/1072509317.db2.gz TWMOTCCBCSFHML-HZPDHXFCSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423252100 1072509871 /nfs/dbraw/zinc/50/98/71/1072509871.db2.gz TWMOTCCBCSFHML-JKSUJKDBSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC000423252397 1072509808 /nfs/dbraw/zinc/50/98/08/1072509808.db2.gz UDYILAVBCZQPMR-UHFFFAOYSA-N 2 0 395.548 -0.153 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423252879 1072511193 /nfs/dbraw/zinc/51/11/93/1072511193.db2.gz VADNRPNPWGAGFO-BBWFWOEESA-N 2 0 393.532 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423252880 1072510740 /nfs/dbraw/zinc/51/07/40/1072510740.db2.gz VADNRPNPWGAGFO-GVDBMIGSSA-N 2 0 393.532 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423252881 1072510717 /nfs/dbraw/zinc/51/07/17/1072510717.db2.gz VADNRPNPWGAGFO-ULQDDVLXSA-N 2 0 393.532 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423252882 1072510968 /nfs/dbraw/zinc/51/09/68/1072510968.db2.gz VADNRPNPWGAGFO-YESZJQIVSA-N 2 0 393.532 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423253112 1072509744 /nfs/dbraw/zinc/50/97/44/1072509744.db2.gz VDGWYUFOIVPWEN-INIZCTEOSA-N 2 0 381.521 -0.414 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423253113 1072510199 /nfs/dbraw/zinc/51/01/99/1072510199.db2.gz VDGWYUFOIVPWEN-MRXNPFEDSA-N 2 0 381.521 -0.414 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423253124 1072509435 /nfs/dbraw/zinc/50/94/35/1072509435.db2.gz VFQKMOHMGBWTGF-CVEARBPZSA-N 2 0 379.505 -0.791 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423253125 1072509721 /nfs/dbraw/zinc/50/97/21/1072509721.db2.gz VFQKMOHMGBWTGF-HOTGVXAUSA-N 2 0 379.505 -0.791 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423253126 1072510552 /nfs/dbraw/zinc/51/05/52/1072510552.db2.gz VFQKMOHMGBWTGF-HZPDHXFCSA-N 2 0 379.505 -0.791 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423253127 1072511174 /nfs/dbraw/zinc/51/11/74/1072511174.db2.gz VFQKMOHMGBWTGF-JKSUJKDBSA-N 2 0 379.505 -0.791 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423253290 1072509837 /nfs/dbraw/zinc/50/98/37/1072509837.db2.gz VRPABXZYFMJUAK-CVEARBPZSA-N 2 0 381.521 -0.558 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423253292 1072509913 /nfs/dbraw/zinc/50/99/13/1072509913.db2.gz VRPABXZYFMJUAK-HOTGVXAUSA-N 2 0 381.521 -0.558 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423253293 1072509489 /nfs/dbraw/zinc/50/94/89/1072509489.db2.gz VRPABXZYFMJUAK-HZPDHXFCSA-N 2 0 381.521 -0.558 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423253295 1072509616 /nfs/dbraw/zinc/50/96/16/1072509616.db2.gz VRPABXZYFMJUAK-JKSUJKDBSA-N 2 0 381.521 -0.558 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423254079 1072511131 /nfs/dbraw/zinc/51/11/31/1072511131.db2.gz WZWHVINFJNJWQJ-FQEVSTJZSA-N 2 0 393.532 -0.399 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423254080 1072510416 /nfs/dbraw/zinc/51/04/16/1072510416.db2.gz WZWHVINFJNJWQJ-HXUWFJFHSA-N 2 0 393.532 -0.399 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423254147 1072510633 /nfs/dbraw/zinc/51/06/33/1072510633.db2.gz XHCRTGHTYIDOGS-UHFFFAOYSA-N 2 0 391.516 -0.645 20 0 GBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423254176 1072510518 /nfs/dbraw/zinc/51/05/18/1072510518.db2.gz XKTKQZINJCBPNZ-INIZCTEOSA-N 2 0 381.521 -0.415 20 0 GBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000423254177 1072510896 /nfs/dbraw/zinc/51/08/96/1072510896.db2.gz XKTKQZINJCBPNZ-MRXNPFEDSA-N 2 0 381.521 -0.415 20 0 GBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000423254447 1072510442 /nfs/dbraw/zinc/51/04/42/1072510442.db2.gz YCHPOASNWACWRD-INIZCTEOSA-N 2 0 379.505 -0.789 20 0 GBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000423254448 1072511085 /nfs/dbraw/zinc/51/10/85/1072511085.db2.gz YCHPOASNWACWRD-MRXNPFEDSA-N 2 0 379.505 -0.789 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423254473 1072510854 /nfs/dbraw/zinc/51/08/54/1072510854.db2.gz YDLDRZAMKDAMBH-IYBDPMFKSA-N 2 0 379.505 -0.648 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423254621 1072511235 /nfs/dbraw/zinc/51/12/35/1072511235.db2.gz YUJWHSZZDFSCBA-INIZCTEOSA-N 2 0 383.537 -0.169 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423254622 1072511250 /nfs/dbraw/zinc/51/12/50/1072511250.db2.gz YUJWHSZZDFSCBA-MRXNPFEDSA-N 2 0 383.537 -0.169 20 0 GBADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000423254655 1072510677 /nfs/dbraw/zinc/51/06/77/1072510677.db2.gz ZARGPBMYLQDNJQ-UHFFFAOYSA-N 2 0 393.532 -0.399 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000423254933 1072510882 /nfs/dbraw/zinc/51/08/82/1072510882.db2.gz ZZLKTZGLIZMCJX-UHFFFAOYSA-N 2 0 393.532 -0.399 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000423255465 1072511052 /nfs/dbraw/zinc/51/10/52/1072511052.db2.gz AEQLGYLNMQFRPX-CVEARBPZSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000423255466 1072511108 /nfs/dbraw/zinc/51/11/08/1072511108.db2.gz AEQLGYLNMQFRPX-HOTGVXAUSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000423255467 1072511151 /nfs/dbraw/zinc/51/11/51/1072511151.db2.gz AEQLGYLNMQFRPX-HZPDHXFCSA-N 2 0 379.505 -0.613 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000423255468 1072510810 /nfs/dbraw/zinc/51/08/10/1072510810.db2.gz AEQLGYLNMQFRPX-JKSUJKDBSA-N 2 0 379.505 -0.613 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423260205 1072512809 /nfs/dbraw/zinc/51/28/09/1072512809.db2.gz GXGPZUQDXWSUCD-KRWDZBQOSA-N 2 0 383.537 -0.691 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423260206 1072512490 /nfs/dbraw/zinc/51/24/90/1072512490.db2.gz GXGPZUQDXWSUCD-QGZVFWFLSA-N 2 0 383.537 -0.691 20 0 GBADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Cc1ccccc1 ZINC000423261580 1072512707 /nfs/dbraw/zinc/51/27/07/1072512707.db2.gz KFNVALKHKJTRAL-BGYRXZFFSA-N 2 0 399.539 -0.060 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423261713 1072512429 /nfs/dbraw/zinc/51/24/29/1072512429.db2.gz KPJYUJSKGHQJKL-DLBZAZTESA-N 2 0 384.521 -0.232 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423261716 1072512660 /nfs/dbraw/zinc/51/26/60/1072512660.db2.gz KPJYUJSKGHQJKL-IAGOWNOFSA-N 2 0 384.521 -0.232 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423261717 1072512636 /nfs/dbraw/zinc/51/26/36/1072512636.db2.gz KPJYUJSKGHQJKL-IRXDYDNUSA-N 2 0 384.521 -0.232 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423261718 1072512579 /nfs/dbraw/zinc/51/25/79/1072512579.db2.gz KPJYUJSKGHQJKL-SJORKVTESA-N 2 0 384.521 -0.232 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423262738 1072507721 /nfs/dbraw/zinc/50/77/21/1072507721.db2.gz VYEQZHCYGRWIJX-HNNXBMFYSA-N 2 0 377.445 -0.685 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423262740 1072507839 /nfs/dbraw/zinc/50/78/39/1072507839.db2.gz VYEQZHCYGRWIJX-OAHLLOKOSA-N 2 0 377.445 -0.685 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423263003 1072507946 /nfs/dbraw/zinc/50/79/46/1072507946.db2.gz AESLDDSRCSAJCQ-FGTMMUONSA-N 2 0 377.533 -0.032 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423263004 1072507569 /nfs/dbraw/zinc/50/75/69/1072507569.db2.gz AESLDDSRCSAJCQ-KSZLIROESA-N 2 0 377.533 -0.032 20 0 GBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423263808 1072996924 /nfs/dbraw/zinc/99/69/24/1072996924.db2.gz OZUMUXRMOKBLTO-UHFFFAOYSA-N 2 0 375.517 -0.060 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423265383 1072509035 /nfs/dbraw/zinc/50/90/35/1072509035.db2.gz CWWNKLZIGBONHW-FGTMMUONSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423265384 1072508891 /nfs/dbraw/zinc/50/88/91/1072508891.db2.gz CWWNKLZIGBONHW-KZNAEPCWSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423265386 1072508921 /nfs/dbraw/zinc/50/89/21/1072508921.db2.gz CWWNKLZIGBONHW-OKZBNKHCSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423265388 1072508561 /nfs/dbraw/zinc/50/85/61/1072508561.db2.gz CWWNKLZIGBONHW-RCCFBDPRSA-N 2 0 377.533 -0.317 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423265693 1072508956 /nfs/dbraw/zinc/50/89/56/1072508956.db2.gz RELHCWGLZUATIT-KRWDZBQOSA-N 2 0 383.537 -0.691 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423265694 1072508765 /nfs/dbraw/zinc/50/87/65/1072508765.db2.gz RELHCWGLZUATIT-QGZVFWFLSA-N 2 0 383.537 -0.691 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423266614 1072508370 /nfs/dbraw/zinc/50/83/70/1072508370.db2.gz DPFCVWBNEXPXHH-FGTMMUONSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423266615 1072508964 /nfs/dbraw/zinc/50/89/64/1072508964.db2.gz DPFCVWBNEXPXHH-KZNAEPCWSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423266616 1072508394 /nfs/dbraw/zinc/50/83/94/1072508394.db2.gz DPFCVWBNEXPXHH-OKZBNKHCSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423266617 1072508413 /nfs/dbraw/zinc/50/84/13/1072508413.db2.gz DPFCVWBNEXPXHH-RCCFBDPRSA-N 2 0 377.533 -0.317 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423266632 1072508344 /nfs/dbraw/zinc/50/83/44/1072508344.db2.gz DQDWNLLZBNTEEW-FXAWDEMLSA-N 2 0 377.533 -0.173 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423266633 1072508519 /nfs/dbraw/zinc/50/85/19/1072508519.db2.gz DQDWNLLZBNTEEW-PXNSSMCTSA-N 2 0 377.533 -0.173 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423266634 1072508337 /nfs/dbraw/zinc/50/83/37/1072508337.db2.gz DQDWNLLZBNTEEW-XLIONFOSSA-N 2 0 377.533 -0.173 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423266635 1072508477 /nfs/dbraw/zinc/50/84/77/1072508477.db2.gz DQDWNLLZBNTEEW-YLJYHZDGSA-N 2 0 377.533 -0.173 20 0 GBADRP CN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423267852 1072514127 /nfs/dbraw/zinc/51/41/27/1072514127.db2.gz FKWVALSPAJFIJZ-DOTOQJQBSA-N 2 0 391.516 -0.648 20 0 GBADRP CN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423267855 1072513575 /nfs/dbraw/zinc/51/35/75/1072513575.db2.gz FKWVALSPAJFIJZ-NVXWUHKLSA-N 2 0 391.516 -0.648 20 0 GBADRP CN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423267857 1072513622 /nfs/dbraw/zinc/51/36/22/1072513622.db2.gz FKWVALSPAJFIJZ-RDJZCZTQSA-N 2 0 391.516 -0.648 20 0 GBADRP CN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423267860 1072513202 /nfs/dbraw/zinc/51/32/02/1072513202.db2.gz FKWVALSPAJFIJZ-WBVHZDCISA-N 2 0 391.516 -0.648 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423277679 1072513752 /nfs/dbraw/zinc/51/37/52/1072513752.db2.gz PTDJRPUDDUAXBP-KSZLIROESA-N 2 0 377.533 -0.175 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423277680 1072513674 /nfs/dbraw/zinc/51/36/74/1072513674.db2.gz PTDJRPUDDUAXBP-KURKYZTESA-N 2 0 377.533 -0.175 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423277681 1072514103 /nfs/dbraw/zinc/51/41/03/1072514103.db2.gz PTDJRPUDDUAXBP-KZNAEPCWSA-N 2 0 377.533 -0.175 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423277682 1072513374 /nfs/dbraw/zinc/51/33/74/1072513374.db2.gz PTDJRPUDDUAXBP-RCCFBDPRSA-N 2 0 377.533 -0.175 20 0 GBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423299789 1072515341 /nfs/dbraw/zinc/51/53/41/1072515341.db2.gz CNIJFGDDLUMYOH-INIZCTEOSA-N 2 0 389.500 -0.165 20 0 GBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423299790 1072515754 /nfs/dbraw/zinc/51/57/54/1072515754.db2.gz CNIJFGDDLUMYOH-MRXNPFEDSA-N 2 0 389.500 -0.165 20 0 GBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423302187 1072516024 /nfs/dbraw/zinc/51/60/24/1072516024.db2.gz JFFKGLPSKHXCHI-UHFFFAOYSA-N 2 0 389.500 -0.293 20 0 GBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000423304497 1072516120 /nfs/dbraw/zinc/51/61/20/1072516120.db2.gz OEBBQLUUMFBBKU-UHFFFAOYSA-N 2 0 377.489 -0.307 20 0 GBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000423307660 1072999541 /nfs/dbraw/zinc/99/95/41/1072999541.db2.gz WGUQGFFGFNFSBD-UHFFFAOYSA-N 2 0 391.516 -0.047 20 0 GBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423313024 1072514871 /nfs/dbraw/zinc/51/48/71/1072514871.db2.gz WGODUEXLPXPKKZ-KRWDZBQOSA-N 2 0 393.532 -0.399 20 0 GBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423313028 1072514682 /nfs/dbraw/zinc/51/46/82/1072514682.db2.gz WGODUEXLPXPKKZ-QGZVFWFLSA-N 2 0 393.532 -0.399 20 0 GBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423355596 1072518327 /nfs/dbraw/zinc/51/83/27/1072518327.db2.gz IIWDPQPANDEQOJ-CVEARBPZSA-N 2 0 377.493 -0.301 20 0 GBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423355597 1072518001 /nfs/dbraw/zinc/51/80/01/1072518001.db2.gz IIWDPQPANDEQOJ-HOTGVXAUSA-N 2 0 377.493 -0.301 20 0 GBADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423355598 1072518153 /nfs/dbraw/zinc/51/81/53/1072518153.db2.gz IIWDPQPANDEQOJ-HZPDHXFCSA-N 2 0 377.493 -0.301 20 0 GBADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423355599 1072517769 /nfs/dbraw/zinc/51/77/69/1072517769.db2.gz IIWDPQPANDEQOJ-JKSUJKDBSA-N 2 0 377.493 -0.301 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423360949 1072518996 /nfs/dbraw/zinc/51/89/96/1072518996.db2.gz GHQOTWKCMDEUHQ-INIZCTEOSA-N 2 0 377.489 -0.324 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423360955 1072518925 /nfs/dbraw/zinc/51/89/25/1072518925.db2.gz GHQOTWKCMDEUHQ-MRXNPFEDSA-N 2 0 377.489 -0.324 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423361046 1072518908 /nfs/dbraw/zinc/51/89/08/1072518908.db2.gz GNCHGMOCJSLTJM-HNNXBMFYSA-N 2 0 393.488 -0.517 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423361047 1072519103 /nfs/dbraw/zinc/51/91/03/1072519103.db2.gz GNCHGMOCJSLTJM-OAHLLOKOSA-N 2 0 393.488 -0.517 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423366979 1072519019 /nfs/dbraw/zinc/51/90/19/1072519019.db2.gz MCQJXVMVKAMXJR-INIZCTEOSA-N 2 0 377.489 -0.324 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423366980 1072519165 /nfs/dbraw/zinc/51/91/65/1072519165.db2.gz MCQJXVMVKAMXJR-MRXNPFEDSA-N 2 0 377.489 -0.324 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423370377 1072519082 /nfs/dbraw/zinc/51/90/82/1072519082.db2.gz CYZGQGSVXVRRFZ-BRWVUGGUSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423370378 1072519983 /nfs/dbraw/zinc/51/99/83/1072519983.db2.gz CYZGQGSVXVRRFZ-IKGGRYGDSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423370379 1072519728 /nfs/dbraw/zinc/51/97/28/1072519728.db2.gz CYZGQGSVXVRRFZ-IXDOHACOSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423370380 1072519720 /nfs/dbraw/zinc/51/97/20/1072519720.db2.gz CYZGQGSVXVRRFZ-ZACQAIPSSA-N 2 0 377.533 -0.319 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423371198 1072516935 /nfs/dbraw/zinc/51/69/35/1072516935.db2.gz FCRXEVDSFFWCFV-AWEZNQCLSA-N 2 0 377.445 -0.685 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423371199 1072516866 /nfs/dbraw/zinc/51/68/66/1072516866.db2.gz FCRXEVDSFFWCFV-CQSZACIVSA-N 2 0 377.445 -0.685 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423373044 1072517218 /nfs/dbraw/zinc/51/72/18/1072517218.db2.gz GYJHGZZIFQISKE-JFIYKMOQSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423373045 1072517105 /nfs/dbraw/zinc/51/71/05/1072517105.db2.gz GYJHGZZIFQISKE-NUJGCVRESA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423373046 1072517460 /nfs/dbraw/zinc/51/74/60/1072517460.db2.gz GYJHGZZIFQISKE-RYRKJORJSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423373047 1072517385 /nfs/dbraw/zinc/51/73/85/1072517385.db2.gz GYJHGZZIFQISKE-SOLBZPMBSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423374747 1072517244 /nfs/dbraw/zinc/51/72/44/1072517244.db2.gz IIFAAIYMUUGLNX-JXFKEZNVSA-N 2 0 377.533 -0.175 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423374748 1072517340 /nfs/dbraw/zinc/51/73/40/1072517340.db2.gz IIFAAIYMUUGLNX-OXJNMPFZSA-N 2 0 377.533 -0.175 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423374749 1072517280 /nfs/dbraw/zinc/51/72/80/1072517280.db2.gz IIFAAIYMUUGLNX-OXQOHEQNSA-N 2 0 377.533 -0.175 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423374750 1072517230 /nfs/dbraw/zinc/51/72/30/1072517230.db2.gz IIFAAIYMUUGLNX-UZLBHIALSA-N 2 0 377.533 -0.175 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423377162 1072520026 /nfs/dbraw/zinc/52/00/26/1072520026.db2.gz JYNAHOOXWASJSS-ATLSCFEFSA-N 2 0 377.533 -0.191 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423377170 1072519951 /nfs/dbraw/zinc/51/99/51/1072519951.db2.gz JYNAHOOXWASJSS-CYGHRXIMSA-N 2 0 377.533 -0.191 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423377174 1072520211 /nfs/dbraw/zinc/52/02/11/1072520211.db2.gz JYNAHOOXWASJSS-FZCLSBEQSA-N 2 0 377.533 -0.191 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423377176 1072520389 /nfs/dbraw/zinc/52/03/89/1072520389.db2.gz JYNAHOOXWASJSS-MXSMSXNCSA-N 2 0 377.533 -0.191 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423390024 1072521401 /nfs/dbraw/zinc/52/14/01/1072521401.db2.gz VOKHAFDTXJIILK-BRWVUGGUSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423390025 1072520881 /nfs/dbraw/zinc/52/08/81/1072520881.db2.gz VOKHAFDTXJIILK-IKGGRYGDSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423390026 1072520865 /nfs/dbraw/zinc/52/08/65/1072520865.db2.gz VOKHAFDTXJIILK-IXDOHACOSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423390027 1072521081 /nfs/dbraw/zinc/52/10/81/1072521081.db2.gz VOKHAFDTXJIILK-ZACQAIPSSA-N 2 0 377.533 -0.319 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1C1CC[NH+](C)CC1 ZINC000423392623 1072520963 /nfs/dbraw/zinc/52/09/63/1072520963.db2.gz XVALCWVVAPUAFV-YESZJQIVSA-N 2 0 377.533 -0.034 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1C1CC[NH+](C)CC1 ZINC000423392629 1072520802 /nfs/dbraw/zinc/52/08/02/1072520802.db2.gz XVALCWVVAPUAFV-ZACQAIPSSA-N 2 0 377.533 -0.034 20 0 GBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423403322 1072521957 /nfs/dbraw/zinc/52/19/57/1072521957.db2.gz XJCKSGBNPSOKHA-CVEARBPZSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423403323 1072522474 /nfs/dbraw/zinc/52/24/74/1072522474.db2.gz XJCKSGBNPSOKHA-HOTGVXAUSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423403324 1072521965 /nfs/dbraw/zinc/52/19/65/1072521965.db2.gz XJCKSGBNPSOKHA-HZPDHXFCSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423403325 1072522297 /nfs/dbraw/zinc/52/22/97/1072522297.db2.gz XJCKSGBNPSOKHA-JKSUJKDBSA-N 2 0 381.521 -0.367 20 0 GBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423413267 1072522850 /nfs/dbraw/zinc/52/28/50/1072522850.db2.gz JZYGVJMXLHCPTN-KRWDZBQOSA-N 2 0 395.548 -0.120 20 0 GBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423413268 1072523176 /nfs/dbraw/zinc/52/31/76/1072523176.db2.gz JZYGVJMXLHCPTN-QGZVFWFLSA-N 2 0 395.548 -0.120 20 0 GBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000423418122 1072523372 /nfs/dbraw/zinc/52/33/72/1072523372.db2.gz UFQZQOHHIOJYDZ-INIZCTEOSA-N 2 0 383.537 -0.123 20 0 GBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000423418123 1072523028 /nfs/dbraw/zinc/52/30/28/1072523028.db2.gz UFQZQOHHIOJYDZ-MRXNPFEDSA-N 2 0 383.537 -0.123 20 0 GBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423433096 1072525321 /nfs/dbraw/zinc/52/53/21/1072525321.db2.gz PDPRQAHBMWSDNJ-INIZCTEOSA-N 2 0 381.521 -0.366 20 0 GBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423433098 1072525256 /nfs/dbraw/zinc/52/52/56/1072525256.db2.gz PDPRQAHBMWSDNJ-MRXNPFEDSA-N 2 0 381.521 -0.366 20 0 GBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423435725 1072524573 /nfs/dbraw/zinc/52/45/73/1072524573.db2.gz RKLXJMDVTDKNBT-INIZCTEOSA-N 2 0 381.521 -0.543 20 0 GBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423435726 1072525219 /nfs/dbraw/zinc/52/52/19/1072525219.db2.gz RKLXJMDVTDKNBT-MRXNPFEDSA-N 2 0 381.521 -0.543 20 0 GBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423439748 1072525037 /nfs/dbraw/zinc/52/50/37/1072525037.db2.gz IAXBKLFAKKPSJG-KRWDZBQOSA-N 2 0 384.521 -0.231 20 0 GBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423439749 1072524803 /nfs/dbraw/zinc/52/48/03/1072524803.db2.gz IAXBKLFAKKPSJG-QGZVFWFLSA-N 2 0 384.521 -0.231 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423444213 1072523200 /nfs/dbraw/zinc/52/32/00/1072523200.db2.gz LLJMKEPYXGITGP-MSOLQXFVSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423444214 1072523072 /nfs/dbraw/zinc/52/30/72/1072523072.db2.gz LLJMKEPYXGITGP-QZTJIDSGSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423444215 1072523297 /nfs/dbraw/zinc/52/32/97/1072523297.db2.gz LLJMKEPYXGITGP-ROUUACIJSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423444217 1072522906 /nfs/dbraw/zinc/52/29/06/1072522906.db2.gz LLJMKEPYXGITGP-ZWKOTPCHSA-N 2 0 395.548 -0.548 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000423448938 1072524009 /nfs/dbraw/zinc/52/40/09/1072524009.db2.gz QVZAEFGUZBGWSJ-KRWDZBQOSA-N 2 0 382.505 -0.477 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000423448939 1072523857 /nfs/dbraw/zinc/52/38/57/1072523857.db2.gz QVZAEFGUZBGWSJ-QGZVFWFLSA-N 2 0 382.505 -0.477 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423449270 1072523688 /nfs/dbraw/zinc/52/36/88/1072523688.db2.gz RIBCWQUJYYWERY-MSOLQXFVSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000423449271 1072523700 /nfs/dbraw/zinc/52/37/00/1072523700.db2.gz RIBCWQUJYYWERY-QZTJIDSGSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423449272 1072523782 /nfs/dbraw/zinc/52/37/82/1072523782.db2.gz RIBCWQUJYYWERY-ROUUACIJSA-N 2 0 395.548 -0.548 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000423449274 1072523751 /nfs/dbraw/zinc/52/37/51/1072523751.db2.gz RIBCWQUJYYWERY-ZWKOTPCHSA-N 2 0 395.548 -0.548 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)[NH2+]1 ZINC000423474835 1072526813 /nfs/dbraw/zinc/52/68/13/1072526813.db2.gz HSDKLHFWVGHYNR-FVGDGBDSSA-N 2 0 377.533 -0.035 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)[NH2+]1 ZINC000423474836 1072526744 /nfs/dbraw/zinc/52/67/44/1072526744.db2.gz HSDKLHFWVGHYNR-SZNINPNASA-N 2 0 377.533 -0.035 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)[NH2+]1 ZINC000423474837 1072526694 /nfs/dbraw/zinc/52/66/94/1072526694.db2.gz HSDKLHFWVGHYNR-VQVIJEGRSA-N 2 0 377.533 -0.035 20 0 GBADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000423478164 1072526613 /nfs/dbraw/zinc/52/66/13/1072526613.db2.gz MNRHICMYDDJOEZ-KRWDZBQOSA-N 2 0 378.473 -0.229 20 0 GBADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000423478166 1072527095 /nfs/dbraw/zinc/52/70/95/1072527095.db2.gz MNRHICMYDDJOEZ-QGZVFWFLSA-N 2 0 378.473 -0.229 20 0 GBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000423484404 1072528347 /nfs/dbraw/zinc/52/83/47/1072528347.db2.gz QZJXUNCPTVFZCD-HRBLRVMOSA-N 2 0 377.533 -0.034 20 0 GBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000423484405 1072529201 /nfs/dbraw/zinc/52/92/01/1072529201.db2.gz QZJXUNCPTVFZCD-XNHLSEOASA-N 2 0 377.533 -0.034 20 0 GBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000423485564 1072528443 /nfs/dbraw/zinc/52/84/43/1072528443.db2.gz AWYAMBYQJMYZSO-CVEARBPZSA-N 2 0 381.521 -0.417 20 0 GBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000423485565 1072528987 /nfs/dbraw/zinc/52/89/87/1072528987.db2.gz AWYAMBYQJMYZSO-HOTGVXAUSA-N 2 0 381.521 -0.417 20 0 GBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000423486066 1072528758 /nfs/dbraw/zinc/52/87/58/1072528758.db2.gz AWYAMBYQJMYZSO-HZPDHXFCSA-N 2 0 381.521 -0.417 20 0 GBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000423486067 1072528933 /nfs/dbraw/zinc/52/89/33/1072528933.db2.gz AWYAMBYQJMYZSO-JKSUJKDBSA-N 2 0 381.521 -0.417 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423494334 1072528584 /nfs/dbraw/zinc/52/85/84/1072528584.db2.gz CZIHPHGHGLWPPC-INIZCTEOSA-N 2 0 381.521 -0.545 20 0 GBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423494335 1072528906 /nfs/dbraw/zinc/52/89/06/1072528906.db2.gz CZIHPHGHGLWPPC-MRXNPFEDSA-N 2 0 381.521 -0.545 20 0 GBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423497579 1072530165 /nfs/dbraw/zinc/53/01/65/1072530165.db2.gz GZSIDHKGOPVZCQ-JFIYKMOQSA-N 2 0 396.532 -0.090 20 0 GBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423497580 1072529742 /nfs/dbraw/zinc/52/97/42/1072529742.db2.gz GZSIDHKGOPVZCQ-JZXOWHBKSA-N 2 0 396.532 -0.090 20 0 GBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423497581 1072529555 /nfs/dbraw/zinc/52/95/55/1072529555.db2.gz GZSIDHKGOPVZCQ-NUJGCVRESA-N 2 0 396.532 -0.090 20 0 GBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423497582 1072529979 /nfs/dbraw/zinc/52/99/79/1072529979.db2.gz GZSIDHKGOPVZCQ-SOLBZPMBSA-N 2 0 396.532 -0.090 20 0 GBADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000423509835 1072527469 /nfs/dbraw/zinc/52/74/69/1072527469.db2.gz JLQQNGAIIDGLAS-KRWDZBQOSA-N 2 0 393.532 -0.401 20 0 GBADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000423509836 1072527400 /nfs/dbraw/zinc/52/74/00/1072527400.db2.gz JLQQNGAIIDGLAS-QGZVFWFLSA-N 2 0 393.532 -0.401 20 0 GBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423510589 1072529801 /nfs/dbraw/zinc/52/98/01/1072529801.db2.gz MQINWPIBZZHWSQ-KRWDZBQOSA-N 2 0 395.548 -0.153 20 0 GBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423510595 1072530092 /nfs/dbraw/zinc/53/00/92/1072530092.db2.gz MQINWPIBZZHWSQ-QGZVFWFLSA-N 2 0 395.548 -0.153 20 0 GBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000423511210 1072529657 /nfs/dbraw/zinc/52/96/57/1072529657.db2.gz KBAVHVZFICCJEH-KRWDZBQOSA-N 2 0 393.532 -0.401 20 0 GBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000423511211 1072529487 /nfs/dbraw/zinc/52/94/87/1072529487.db2.gz KBAVHVZFICCJEH-QGZVFWFLSA-N 2 0 393.532 -0.401 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423514691 1072529685 /nfs/dbraw/zinc/52/96/85/1072529685.db2.gz MJCSMVVMEUJQGP-SPYBWZPUSA-N 2 0 379.505 -0.805 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[C@@]1(C)C[NH3+] ZINC000423514692 1072529935 /nfs/dbraw/zinc/52/99/35/1072529935.db2.gz MJCSMVVMEUJQGP-ZRGWGRIASA-N 2 0 379.505 -0.805 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423522393 1072530821 /nfs/dbraw/zinc/53/08/21/1072530821.db2.gz LYFAWQONEOTLLA-HNNXBMFYSA-N 2 0 379.505 -0.791 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423522395 1072530603 /nfs/dbraw/zinc/53/06/03/1072530603.db2.gz LYFAWQONEOTLLA-OAHLLOKOSA-N 2 0 379.505 -0.791 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423524244 1072530867 /nfs/dbraw/zinc/53/08/67/1072530867.db2.gz SXCKEUZHKCUXLQ-INIZCTEOSA-N 2 0 391.516 -0.647 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423524251 1072530966 /nfs/dbraw/zinc/53/09/66/1072530966.db2.gz SXCKEUZHKCUXLQ-MRXNPFEDSA-N 2 0 391.516 -0.647 20 0 GBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423548069 1072535655 /nfs/dbraw/zinc/53/56/55/1072535655.db2.gz GPAZSTYTOXNNLG-OAGGEKHMSA-N 2 0 379.505 -0.615 20 0 GBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423548070 1072535681 /nfs/dbraw/zinc/53/56/81/1072535681.db2.gz GPAZSTYTOXNNLG-XHSDSOJGSA-N 2 0 379.505 -0.615 20 0 GBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423558919 1072532150 /nfs/dbraw/zinc/53/21/50/1072532150.db2.gz DPCAKLIDAMNYBW-FXAWDEMLSA-N 2 0 390.484 -0.732 20 0 GBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423558921 1072531816 /nfs/dbraw/zinc/53/18/16/1072531816.db2.gz DPCAKLIDAMNYBW-PXNSSMCTSA-N 2 0 390.484 -0.732 20 0 GBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423558923 1072532032 /nfs/dbraw/zinc/53/20/32/1072532032.db2.gz DPCAKLIDAMNYBW-XLIONFOSSA-N 2 0 390.484 -0.732 20 0 GBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423558924 1072531872 /nfs/dbraw/zinc/53/18/72/1072531872.db2.gz DPCAKLIDAMNYBW-YLJYHZDGSA-N 2 0 390.484 -0.732 20 0 GBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423570132 1072538306 /nfs/dbraw/zinc/53/83/06/1072538306.db2.gz NFZZJVXJEZBMRA-LVCYWYKZSA-N 2 0 386.496 -0.240 20 0 GBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423570135 1072538479 /nfs/dbraw/zinc/53/84/79/1072538479.db2.gz NFZZJVXJEZBMRA-UEXGIBASSA-N 2 0 386.496 -0.240 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423580061 1072541313 /nfs/dbraw/zinc/54/13/13/1072541313.db2.gz QOYPOASPHUQKLN-INIZCTEOSA-N 2 0 393.532 -0.401 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423580062 1072540982 /nfs/dbraw/zinc/54/09/82/1072540982.db2.gz QOYPOASPHUQKLN-MRXNPFEDSA-N 2 0 393.532 -0.401 20 0 GBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000423598749 1072548352 /nfs/dbraw/zinc/54/83/52/1072548352.db2.gz WXMAZHIIZLUDBG-KTGAGVNESA-N 2 0 377.533 -0.034 20 0 GBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000423598750 1072548683 /nfs/dbraw/zinc/54/86/83/1072548683.db2.gz WXMAZHIIZLUDBG-SOABOVLPSA-N 2 0 377.533 -0.034 20 0 GBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423601931 1072548804 /nfs/dbraw/zinc/54/88/04/1072548804.db2.gz FBRYOXSAKIZMBF-MOPGFXCFSA-N 2 0 385.512 -0.035 20 0 GBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423601934 1072548463 /nfs/dbraw/zinc/54/84/63/1072548463.db2.gz FBRYOXSAKIZMBF-RTBURBONSA-N 2 0 385.512 -0.035 20 0 GBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000423608550 1072543741 /nfs/dbraw/zinc/54/37/41/1072543741.db2.gz NUXQIVVVQWNRMR-HNNXBMFYSA-N 2 0 395.548 -0.251 20 0 GBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000423608552 1072544361 /nfs/dbraw/zinc/54/43/61/1072544361.db2.gz NUXQIVVVQWNRMR-OAHLLOKOSA-N 2 0 395.548 -0.251 20 0 GBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423615225 1072545970 /nfs/dbraw/zinc/54/59/70/1072545970.db2.gz YGSXMOYZULHFFD-INIZCTEOSA-N 2 0 395.548 -0.107 20 0 GBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423615226 1072546436 /nfs/dbraw/zinc/54/64/36/1072546436.db2.gz YGSXMOYZULHFFD-MRXNPFEDSA-N 2 0 395.548 -0.107 20 0 GBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423625143 1072552984 /nfs/dbraw/zinc/55/29/84/1072552984.db2.gz FBRYOXSAKIZMBF-OALUTQOASA-N 2 0 385.512 -0.035 20 0 GBADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423625144 1072552907 /nfs/dbraw/zinc/55/29/07/1072552907.db2.gz FBRYOXSAKIZMBF-RBUKOAKNSA-N 2 0 385.512 -0.035 20 0 GBADRP O=C(C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000423627290 1072552379 /nfs/dbraw/zinc/55/23/79/1072552379.db2.gz UHNVXJJJYGYDPM-IBGZPJMESA-N 2 0 385.512 -0.163 20 0 GBADRP O=C(C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CC[NH2+]CC1 ZINC000423627301 1072552676 /nfs/dbraw/zinc/55/26/76/1072552676.db2.gz UHNVXJJJYGYDPM-LJQANCHMSA-N 2 0 385.512 -0.163 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423630993 1072549601 /nfs/dbraw/zinc/54/96/01/1072549601.db2.gz ZFIQOZFDTGFNST-KRWDZBQOSA-N 2 0 384.521 -0.088 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423630994 1072549523 /nfs/dbraw/zinc/54/95/23/1072549523.db2.gz ZFIQOZFDTGFNST-QGZVFWFLSA-N 2 0 384.521 -0.088 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423642023 1072550445 /nfs/dbraw/zinc/55/04/45/1072550445.db2.gz WZJSIMZRHVQUKM-CALCHBBNSA-N 2 0 396.532 -0.075 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423649157 1072552470 /nfs/dbraw/zinc/55/24/70/1072552470.db2.gz JIJRWXQEBSJUOT-CVEARBPZSA-N 2 0 384.521 -0.219 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423649158 1072552796 /nfs/dbraw/zinc/55/27/96/1072552796.db2.gz JIJRWXQEBSJUOT-HOTGVXAUSA-N 2 0 384.521 -0.219 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423649160 1072552501 /nfs/dbraw/zinc/55/25/01/1072552501.db2.gz JIJRWXQEBSJUOT-HZPDHXFCSA-N 2 0 384.521 -0.219 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423649162 1072552414 /nfs/dbraw/zinc/55/24/14/1072552414.db2.gz JIJRWXQEBSJUOT-JKSUJKDBSA-N 2 0 384.521 -0.219 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423656287 1072554907 /nfs/dbraw/zinc/55/49/07/1072554907.db2.gz CMXBDQMYZLQFKX-DLBZAZTESA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423656288 1072555159 /nfs/dbraw/zinc/55/51/59/1072555159.db2.gz CMXBDQMYZLQFKX-IAGOWNOFSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423656289 1072554975 /nfs/dbraw/zinc/55/49/75/1072554975.db2.gz CMXBDQMYZLQFKX-IRXDYDNUSA-N 2 0 393.532 -0.223 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423656290 1072554642 /nfs/dbraw/zinc/55/46/42/1072554642.db2.gz CMXBDQMYZLQFKX-SJORKVTESA-N 2 0 393.532 -0.223 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659005 1072555798 /nfs/dbraw/zinc/55/57/98/1072555798.db2.gz HHSUGCNZWPUVGE-CVEARBPZSA-N 2 0 379.505 -0.648 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659007 1072555781 /nfs/dbraw/zinc/55/57/81/1072555781.db2.gz HHSUGCNZWPUVGE-HOTGVXAUSA-N 2 0 379.505 -0.648 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659009 1072555543 /nfs/dbraw/zinc/55/55/43/1072555543.db2.gz HHSUGCNZWPUVGE-HZPDHXFCSA-N 2 0 379.505 -0.648 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659013 1072555920 /nfs/dbraw/zinc/55/59/20/1072555920.db2.gz HHSUGCNZWPUVGE-JKSUJKDBSA-N 2 0 379.505 -0.648 20 0 GBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000423659133 1072554699 /nfs/dbraw/zinc/55/46/99/1072554699.db2.gz YPNKUHMVPDBXDE-IIQAOJFUSA-N 2 0 377.533 -0.035 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423659134 1072555022 /nfs/dbraw/zinc/55/50/22/1072555022.db2.gz YPNKUHMVPDBXDE-SZNINPNASA-N 2 0 377.533 -0.035 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@H](C)C[NH2+]1 ZINC000423659135 1072554789 /nfs/dbraw/zinc/55/47/89/1072554789.db2.gz YPNKUHMVPDBXDE-VQVIJEGRSA-N 2 0 377.533 -0.035 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@@H](C)C[NH2+]1 ZINC000423659136 1072555949 /nfs/dbraw/zinc/55/59/49/1072555949.db2.gz YPNKUHMVPDBXDE-WXCOAYGQSA-N 2 0 377.533 -0.035 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])CC[C@H]21 ZINC000423660540 1072556395 /nfs/dbraw/zinc/55/63/95/1072556395.db2.gz GFQBJMPGVSVEOC-BRWVUGGUSA-N 2 0 393.532 -0.225 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])CC[C@@H]21 ZINC000423660541 1072556483 /nfs/dbraw/zinc/55/64/83/1072556483.db2.gz GFQBJMPGVSVEOC-IKGGRYGDSA-N 2 0 393.532 -0.225 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])CC[C@H]21 ZINC000423660542 1072556456 /nfs/dbraw/zinc/55/64/56/1072556456.db2.gz GFQBJMPGVSVEOC-IXDOHACOSA-N 2 0 393.532 -0.225 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])CC[C@@H]21 ZINC000423660543 1072556672 /nfs/dbraw/zinc/55/66/72/1072556672.db2.gz GFQBJMPGVSVEOC-ZACQAIPSSA-N 2 0 393.532 -0.225 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000423660590 1072555677 /nfs/dbraw/zinc/55/56/77/1072555677.db2.gz GHWXCXOMZAAYNC-DLBZAZTESA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000423660591 1072556061 /nfs/dbraw/zinc/55/60/61/1072556061.db2.gz GHWXCXOMZAAYNC-IAGOWNOFSA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000423660592 1072556085 /nfs/dbraw/zinc/55/60/85/1072556085.db2.gz GHWXCXOMZAAYNC-IRXDYDNUSA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000423660593 1072556010 /nfs/dbraw/zinc/55/60/10/1072556010.db2.gz GHWXCXOMZAAYNC-SJORKVTESA-N 2 0 393.532 -0.081 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423660594 1072556572 /nfs/dbraw/zinc/55/65/72/1072556572.db2.gz GIAPMRPMVYKVCW-HNNXBMFYSA-N 2 0 381.521 -0.225 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423660595 1072556999 /nfs/dbraw/zinc/55/69/99/1072556999.db2.gz GIAPMRPMVYKVCW-OAHLLOKOSA-N 2 0 381.521 -0.225 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CC[NH2+]C1 ZINC000423660708 1072556558 /nfs/dbraw/zinc/55/65/58/1072556558.db2.gz KTNUJFIWSKVCJT-INIZCTEOSA-N 2 0 381.521 -0.401 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660709 1072556743 /nfs/dbraw/zinc/55/67/43/1072556743.db2.gz KTNUJFIWSKVCJT-MRXNPFEDSA-N 2 0 381.521 -0.401 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423662841 1072556654 /nfs/dbraw/zinc/55/66/54/1072556654.db2.gz FWEMJYCXGAWDPE-CABCVRRESA-N 2 0 391.472 -0.297 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423662843 1072556473 /nfs/dbraw/zinc/55/64/73/1072556473.db2.gz FWEMJYCXGAWDPE-GJZGRUSLSA-N 2 0 391.472 -0.297 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423662845 1072556968 /nfs/dbraw/zinc/55/69/68/1072556968.db2.gz FWEMJYCXGAWDPE-HUUCEWRRSA-N 2 0 391.472 -0.297 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423662846 1072556435 /nfs/dbraw/zinc/55/64/35/1072556435.db2.gz FWEMJYCXGAWDPE-LSDHHAIUSA-N 2 0 391.472 -0.297 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC000423664187 1072557752 /nfs/dbraw/zinc/55/77/52/1072557752.db2.gz GMJYGKQAKPNFDC-BRWVUGGUSA-N 2 0 384.521 -0.090 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC000423664190 1072557589 /nfs/dbraw/zinc/55/75/89/1072557589.db2.gz GMJYGKQAKPNFDC-GVDBMIGSSA-N 2 0 384.521 -0.090 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C1 ZINC000423664193 1072557743 /nfs/dbraw/zinc/55/77/43/1072557743.db2.gz GMJYGKQAKPNFDC-IXDOHACOSA-N 2 0 384.521 -0.090 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC000423664196 1072557668 /nfs/dbraw/zinc/55/76/68/1072557668.db2.gz GMJYGKQAKPNFDC-YESZJQIVSA-N 2 0 384.521 -0.090 20 0 GBADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@H](C)O1 ZINC000423665033 1072557238 /nfs/dbraw/zinc/55/72/38/1072557238.db2.gz GAOHBOBHZOLURU-LAQRGFTBSA-N 2 0 396.532 -0.485 20 0 GBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000423665038 1072557425 /nfs/dbraw/zinc/55/74/25/1072557425.db2.gz GAOHBOBHZOLURU-LMSBXDPUSA-N 2 0 396.532 -0.485 20 0 GBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)C[C@H](C)O1 ZINC000423665041 1072557366 /nfs/dbraw/zinc/55/73/66/1072557366.db2.gz GAOHBOBHZOLURU-MVJTYMMSSA-N 2 0 396.532 -0.485 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423665140 1072557600 /nfs/dbraw/zinc/55/76/00/1072557600.db2.gz JDZCWZIQOCIAIP-KRWDZBQOSA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000423665142 1072557448 /nfs/dbraw/zinc/55/74/48/1072557448.db2.gz JDZCWZIQOCIAIP-QGZVFWFLSA-N 2 0 393.532 -0.081 20 0 GBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423666172 1072558237 /nfs/dbraw/zinc/55/82/37/1072558237.db2.gz JTNVFMRVPPFPCN-CVEARBPZSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423666173 1072558544 /nfs/dbraw/zinc/55/85/44/1072558544.db2.gz JTNVFMRVPPFPCN-HOTGVXAUSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423666176 1072558417 /nfs/dbraw/zinc/55/84/17/1072558417.db2.gz JTNVFMRVPPFPCN-HZPDHXFCSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423666179 1072558195 /nfs/dbraw/zinc/55/81/95/1072558195.db2.gz JTNVFMRVPPFPCN-JKSUJKDBSA-N 2 0 381.521 -0.367 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423668387 1072558282 /nfs/dbraw/zinc/55/82/82/1072558282.db2.gz VOHQDYUKQMKYKY-INIZCTEOSA-N 2 0 379.505 -0.647 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423668388 1072558044 /nfs/dbraw/zinc/55/80/44/1072558044.db2.gz VOHQDYUKQMKYKY-MRXNPFEDSA-N 2 0 379.505 -0.647 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@@H]3C[NH3+])CC2)c1 ZINC000423671742 1072559403 /nfs/dbraw/zinc/55/94/03/1072559403.db2.gz NLUDMSYXSDISNS-GDBMZVCRSA-N 2 0 391.472 -0.297 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](OC)C[C@H]3C[NH3+])CC2)c1 ZINC000423671744 1072559317 /nfs/dbraw/zinc/55/93/17/1072559317.db2.gz NLUDMSYXSDISNS-GOEBONIOSA-N 2 0 391.472 -0.297 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@H]3C[NH3+])CC2)c1 ZINC000423671747 1072559244 /nfs/dbraw/zinc/55/92/44/1072559244.db2.gz NLUDMSYXSDISNS-HOCLYGCPSA-N 2 0 391.472 -0.297 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](OC)C[C@@H]3C[NH3+])CC2)c1 ZINC000423671750 1072558925 /nfs/dbraw/zinc/55/89/25/1072558925.db2.gz NLUDMSYXSDISNS-ZBFHGGJFSA-N 2 0 391.472 -0.297 20 0 GBADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CCN1CCOC ZINC000423672177 1072559097 /nfs/dbraw/zinc/55/90/97/1072559097.db2.gz OBDZZKUCOKDAEM-BRWVUGGUSA-N 2 0 384.521 -0.090 20 0 GBADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CCN1CCOC ZINC000423672179 1072559338 /nfs/dbraw/zinc/55/93/38/1072559338.db2.gz OBDZZKUCOKDAEM-IKGGRYGDSA-N 2 0 384.521 -0.090 20 0 GBADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CCN1CCOC ZINC000423672181 1072559465 /nfs/dbraw/zinc/55/94/65/1072559465.db2.gz OBDZZKUCOKDAEM-IXDOHACOSA-N 2 0 384.521 -0.090 20 0 GBADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CCN1CCOC ZINC000423672183 1072559441 /nfs/dbraw/zinc/55/94/41/1072559441.db2.gz OBDZZKUCOKDAEM-ZACQAIPSSA-N 2 0 384.521 -0.090 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423674066 1072561142 /nfs/dbraw/zinc/56/11/42/1072561142.db2.gz GNWNXFWUKFIUGT-HOTGVXAUSA-N 2 0 384.521 -0.219 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423674069 1072561283 /nfs/dbraw/zinc/56/12/83/1072561283.db2.gz GNWNXFWUKFIUGT-HZPDHXFCSA-N 2 0 384.521 -0.219 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423674078 1072561388 /nfs/dbraw/zinc/56/13/88/1072561388.db2.gz GNWNXFWUKFIUGT-IYBDPMFKSA-N 2 0 384.521 -0.219 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423674326 1072562126 /nfs/dbraw/zinc/56/21/26/1072562126.db2.gz OZDRVRCGCXDLGH-DLBZAZTESA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423674327 1072562073 /nfs/dbraw/zinc/56/20/73/1072562073.db2.gz OZDRVRCGCXDLGH-IAGOWNOFSA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423674328 1072562210 /nfs/dbraw/zinc/56/22/10/1072562210.db2.gz OZDRVRCGCXDLGH-IRXDYDNUSA-N 2 0 393.532 -0.081 20 0 GBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423674329 1072562172 /nfs/dbraw/zinc/56/21/72/1072562172.db2.gz OZDRVRCGCXDLGH-SJORKVTESA-N 2 0 393.532 -0.081 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423674738 1072562085 /nfs/dbraw/zinc/56/20/85/1072562085.db2.gz AWVIODFNEMGEMZ-FGTMMUONSA-N 2 0 377.533 -0.032 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423674741 1072561978 /nfs/dbraw/zinc/56/19/78/1072561978.db2.gz AWVIODFNEMGEMZ-SQNIBIBYSA-N 2 0 377.533 -0.032 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423676538 1072561916 /nfs/dbraw/zinc/56/19/16/1072561916.db2.gz JGOGBVISRBFUKM-CVEARBPZSA-N 2 0 381.521 -0.273 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423676540 1072562183 /nfs/dbraw/zinc/56/21/83/1072562183.db2.gz JGOGBVISRBFUKM-HOTGVXAUSA-N 2 0 381.521 -0.273 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423676541 1072562105 /nfs/dbraw/zinc/56/21/05/1072562105.db2.gz JGOGBVISRBFUKM-HZPDHXFCSA-N 2 0 381.521 -0.273 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423676542 1072562153 /nfs/dbraw/zinc/56/21/53/1072562153.db2.gz JGOGBVISRBFUKM-JKSUJKDBSA-N 2 0 381.521 -0.273 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423680411 1072562791 /nfs/dbraw/zinc/56/27/91/1072562791.db2.gz FEVFBRUJTPKUOH-CVEARBPZSA-N 2 0 379.505 -0.648 20 0 GBADRP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685237 1072564176 /nfs/dbraw/zinc/56/41/76/1072564176.db2.gz ROJSCUPPHPEYLG-RDGPPVDQSA-N 2 0 386.496 -0.242 20 0 GBADRP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685238 1072563434 /nfs/dbraw/zinc/56/34/34/1072563434.db2.gz ROJSCUPPHPEYLG-VJANTYMQSA-N 2 0 386.496 -0.242 20 0 GBADRP CN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685239 1072563825 /nfs/dbraw/zinc/56/38/25/1072563825.db2.gz ROJSCUPPHPEYLG-XWSJACJDSA-N 2 0 386.496 -0.242 20 0 GBADRP CN(C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685240 1072563587 /nfs/dbraw/zinc/56/35/87/1072563587.db2.gz ROJSCUPPHPEYLG-YRXWBPOGSA-N 2 0 386.496 -0.242 20 0 GBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685875 1072563641 /nfs/dbraw/zinc/56/36/41/1072563641.db2.gz VNHNHZFHRDRWFW-JXFKEZNVSA-N 2 0 393.532 -0.223 20 0 GBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685876 1072563665 /nfs/dbraw/zinc/56/36/65/1072563665.db2.gz VNHNHZFHRDRWFW-OXJNMPFZSA-N 2 0 393.532 -0.223 20 0 GBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685877 1072564132 /nfs/dbraw/zinc/56/41/32/1072564132.db2.gz VNHNHZFHRDRWFW-OXQOHEQNSA-N 2 0 393.532 -0.223 20 0 GBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])C2)C1 ZINC000423685878 1072564069 /nfs/dbraw/zinc/56/40/69/1072564069.db2.gz VNHNHZFHRDRWFW-UZLBHIALSA-N 2 0 393.532 -0.223 20 0 GBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423688843 1072564575 /nfs/dbraw/zinc/56/45/75/1072564575.db2.gz XGHRURXRJIZADC-CVEARBPZSA-N 2 0 381.521 -0.225 20 0 GBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423688845 1072565058 /nfs/dbraw/zinc/56/50/58/1072565058.db2.gz XGHRURXRJIZADC-HOTGVXAUSA-N 2 0 381.521 -0.225 20 0 GBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423688847 1072564853 /nfs/dbraw/zinc/56/48/53/1072564853.db2.gz XGHRURXRJIZADC-HZPDHXFCSA-N 2 0 381.521 -0.225 20 0 GBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423688849 1072565000 /nfs/dbraw/zinc/56/50/00/1072565000.db2.gz XGHRURXRJIZADC-JKSUJKDBSA-N 2 0 381.521 -0.225 20 0 GBADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423692402 1072559973 /nfs/dbraw/zinc/55/99/73/1072559973.db2.gz QOYMXIMTIJFMIM-BGYRXZFFSA-N 2 0 399.539 -0.060 20 0 GBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423692703 1072560169 /nfs/dbraw/zinc/56/01/69/1072560169.db2.gz ZYPFOXPQRCCJIR-INIZCTEOSA-N 2 0 381.521 -0.223 20 0 GBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423692704 1072559924 /nfs/dbraw/zinc/55/99/24/1072559924.db2.gz ZYPFOXPQRCCJIR-MRXNPFEDSA-N 2 0 381.521 -0.223 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000423695651 1072560039 /nfs/dbraw/zinc/56/00/39/1072560039.db2.gz IZOFPTBWVCBSIQ-UHFFFAOYSA-N 2 0 393.532 -0.256 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C1CC[NH+](C)CC1 ZINC000423696080 1072560424 /nfs/dbraw/zinc/56/04/24/1072560424.db2.gz LRSIMJBXARQFKN-BBWFWOEESA-N 2 0 377.533 -0.034 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C1CC[NH+](C)CC1 ZINC000423696081 1072560517 /nfs/dbraw/zinc/56/05/17/1072560517.db2.gz LRSIMJBXARQFKN-ZACQAIPSSA-N 2 0 377.533 -0.034 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)C1CC[NH2+]CC1 ZINC000423697165 1072561003 /nfs/dbraw/zinc/56/10/03/1072561003.db2.gz KFBXSSFHXVXABH-UHFFFAOYSA-N 2 0 395.548 -0.010 20 0 GBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000423703963 1073014777 /nfs/dbraw/zinc/01/47/77/1073014777.db2.gz CYTZITLVDLBOLE-UHFFFAOYSA-N 2 0 375.517 -0.060 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC[NH2+]CC1 ZINC000423705264 1072565743 /nfs/dbraw/zinc/56/57/43/1072565743.db2.gz OFEOIRXHYCHKCP-KRWDZBQOSA-N 2 0 393.532 -0.258 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC[NH2+]CC1 ZINC000423705265 1072565695 /nfs/dbraw/zinc/56/56/95/1072565695.db2.gz OFEOIRXHYCHKCP-QGZVFWFLSA-N 2 0 393.532 -0.258 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423710886 1072567048 /nfs/dbraw/zinc/56/70/48/1072567048.db2.gz LVUSIRWEBFIFFF-UHFFFAOYSA-N 2 0 384.521 -0.217 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000423718921 1072568406 /nfs/dbraw/zinc/56/84/06/1072568406.db2.gz DNWXIGVIEHGRQT-UHFFFAOYSA-N 2 0 379.505 -0.647 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@@H]1C[NH3+] ZINC000423729522 1072569975 /nfs/dbraw/zinc/56/99/75/1072569975.db2.gz KKVIZOFMNXXBLG-BZUAXINKSA-N 2 0 379.505 -0.663 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@H]1C[NH3+] ZINC000423729524 1072570441 /nfs/dbraw/zinc/57/04/41/1072570441.db2.gz KKVIZOFMNXXBLG-OAGGEKHMSA-N 2 0 379.505 -0.663 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@@H]1C[NH3+] ZINC000423729526 1072569798 /nfs/dbraw/zinc/56/97/98/1072569798.db2.gz KKVIZOFMNXXBLG-OWCLPIDISA-N 2 0 379.505 -0.663 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@H]1C[NH3+] ZINC000423729529 1072570382 /nfs/dbraw/zinc/57/03/82/1072570382.db2.gz KKVIZOFMNXXBLG-PMPSAXMXSA-N 2 0 379.505 -0.663 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423732446 1072571318 /nfs/dbraw/zinc/57/13/18/1072571318.db2.gz MJYMUEXAEYWWNK-CVEARBPZSA-N 2 0 379.505 -0.661 20 0 GBADRP C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423732449 1072571344 /nfs/dbraw/zinc/57/13/44/1072571344.db2.gz MJYMUEXAEYWWNK-HOTGVXAUSA-N 2 0 379.505 -0.661 20 0 GBADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423732451 1072571536 /nfs/dbraw/zinc/57/15/36/1072571536.db2.gz MJYMUEXAEYWWNK-HZPDHXFCSA-N 2 0 379.505 -0.661 20 0 GBADRP C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423732454 1072571644 /nfs/dbraw/zinc/57/16/44/1072571644.db2.gz MJYMUEXAEYWWNK-JKSUJKDBSA-N 2 0 379.505 -0.661 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423735247 1072574010 /nfs/dbraw/zinc/57/40/10/1072574010.db2.gz OZUAPOBGMFCDJW-CVEARBPZSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423735248 1072574197 /nfs/dbraw/zinc/57/41/97/1072574197.db2.gz OZUAPOBGMFCDJW-HOTGVXAUSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423735249 1072574291 /nfs/dbraw/zinc/57/42/91/1072574291.db2.gz OZUAPOBGMFCDJW-HZPDHXFCSA-N 2 0 381.521 -0.415 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423735251 1072573900 /nfs/dbraw/zinc/57/39/00/1072573900.db2.gz OZUAPOBGMFCDJW-JKSUJKDBSA-N 2 0 381.521 -0.415 20 0 GBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423738011 1072574067 /nfs/dbraw/zinc/57/40/67/1072574067.db2.gz UQPOBDWNCQGXTL-LQWHRVPQSA-N 2 0 386.496 -0.098 20 0 GBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423738014 1072574374 /nfs/dbraw/zinc/57/43/74/1072574374.db2.gz UQPOBDWNCQGXTL-LVCYWYKZSA-N 2 0 386.496 -0.098 20 0 GBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423741507 1072572130 /nfs/dbraw/zinc/57/21/30/1072572130.db2.gz YAFFOYHJOZFQDF-RRQGHBQHSA-N 2 0 378.448 -0.396 20 0 GBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423741509 1072572035 /nfs/dbraw/zinc/57/20/35/1072572035.db2.gz YAFFOYHJOZFQDF-XOKHGSTOSA-N 2 0 378.448 -0.396 20 0 GBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000423754274 1072573445 /nfs/dbraw/zinc/57/34/45/1072573445.db2.gz ZGPXKRRRMRPCCZ-INIZCTEOSA-N 2 0 381.521 -0.401 20 0 GBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000423754276 1072573113 /nfs/dbraw/zinc/57/31/13/1072573113.db2.gz ZGPXKRRRMRPCCZ-MRXNPFEDSA-N 2 0 381.521 -0.401 20 0 GBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424386870 1072591759 /nfs/dbraw/zinc/59/17/59/1072591759.db2.gz FLWWPGRDUDRWNO-JKSUJKDBSA-N 2 0 395.533 -0.090 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424457181 1072594904 /nfs/dbraw/zinc/59/49/04/1072594904.db2.gz YIISHOIMVLJFNF-BBWFWOEESA-N 2 0 391.520 -0.201 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424457182 1072595122 /nfs/dbraw/zinc/59/51/22/1072595122.db2.gz YIISHOIMVLJFNF-GVDBMIGSSA-N 2 0 391.520 -0.201 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424485125 1072597033 /nfs/dbraw/zinc/59/70/33/1072597033.db2.gz BPXFRYNELXLVGA-IXDOHACOSA-N 2 0 392.504 -0.854 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424485126 1072597126 /nfs/dbraw/zinc/59/71/26/1072597126.db2.gz BPXFRYNELXLVGA-YESZJQIVSA-N 2 0 392.504 -0.854 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424492277 1072598974 /nfs/dbraw/zinc/59/89/74/1072598974.db2.gz HHNWOPPHSSUCHI-BPQIPLTHSA-N 2 0 388.516 -0.137 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000424492279 1072598626 /nfs/dbraw/zinc/59/86/26/1072598626.db2.gz HHNWOPPHSSUCHI-RYQLBKOJSA-N 2 0 388.516 -0.137 20 0 GBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424495621 1072599437 /nfs/dbraw/zinc/59/94/37/1072599437.db2.gz QYKGUUIVWSIYCB-DLBZAZTESA-N 2 0 393.536 -0.985 20 0 GBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424501362 1072600394 /nfs/dbraw/zinc/60/03/94/1072600394.db2.gz FAXLBHNYPOMEIK-DLBZAZTESA-N 2 0 376.505 -0.089 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424501696 1072600427 /nfs/dbraw/zinc/60/04/27/1072600427.db2.gz FUNDCACOZOFGGZ-CEXWTWQISA-N 2 0 398.511 -0.038 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424501697 1072600391 /nfs/dbraw/zinc/60/03/91/1072600391.db2.gz FUNDCACOZOFGGZ-GBESFXJTSA-N 2 0 398.511 -0.038 20 0 GBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424509195 1072601518 /nfs/dbraw/zinc/60/15/18/1072601518.db2.gz PVMOVEDIYIZEDH-BHYGNILZSA-N 2 0 392.504 -0.710 20 0 GBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424509197 1072601615 /nfs/dbraw/zinc/60/16/15/1072601615.db2.gz PVMOVEDIYIZEDH-HYVNUMGLSA-N 2 0 392.504 -0.710 20 0 GBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424510249 1072596613 /nfs/dbraw/zinc/59/66/13/1072596613.db2.gz RPVANCSLXRVORR-DLBZAZTESA-N 2 0 376.505 -0.089 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@H+](C)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424512133 1072599376 /nfs/dbraw/zinc/59/93/76/1072599376.db2.gz UZNCKAKQAHEGLZ-ZWKOTPCHSA-N 2 0 384.484 -0.079 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)C[C@H]2[NH3+])cn1 ZINC000424512432 1072596375 /nfs/dbraw/zinc/59/63/75/1072596375.db2.gz VBXJSAVNTXUPAS-JKSUJKDBSA-N 2 0 376.505 -0.089 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424513712 1072603108 /nfs/dbraw/zinc/60/31/08/1072603108.db2.gz YCFUQANFUGSGPU-CEXWTWQISA-N 2 0 398.511 -0.038 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424513714 1072603086 /nfs/dbraw/zinc/60/30/86/1072603086.db2.gz YCFUQANFUGSGPU-GBESFXJTSA-N 2 0 398.511 -0.038 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000424514706 1072602956 /nfs/dbraw/zinc/60/29/56/1072602956.db2.gz BAOCNYXZSNMUQP-ARFHVFGLSA-N 2 0 376.505 -0.090 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C[C@H]2[NH3+])cn1 ZINC000424514716 1072603149 /nfs/dbraw/zinc/60/31/49/1072603149.db2.gz BAOCNYXZSNMUQP-XHSDSOJGSA-N 2 0 376.505 -0.090 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C[C@H]2[NH3+])cn1 ZINC000424518426 1072604358 /nfs/dbraw/zinc/60/43/58/1072604358.db2.gz HWEHNZPJPPESJI-JJRVBVJISA-N 2 0 380.518 -0.773 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C[C@H]2[NH3+])cn1 ZINC000424518434 1072604295 /nfs/dbraw/zinc/60/42/95/1072604295.db2.gz HWEHNZPJPPESJI-VBQJREDUSA-N 2 0 380.518 -0.773 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC3CCC(C[NH+](C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000424520063 1072604152 /nfs/dbraw/zinc/60/41/52/1072604152.db2.gz KBOXSFIKXIYPHZ-MHVXSEJMSA-N 2 0 376.505 -0.090 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424523506 1072604282 /nfs/dbraw/zinc/60/42/82/1072604282.db2.gz OJSSCDKWHMYEMV-RBUKOAKNSA-N 2 0 385.512 -0.259 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@H]2[NH3+])cn1 ZINC000424528045 1072601625 /nfs/dbraw/zinc/60/16/25/1072601625.db2.gz TUMFLZOWRSLNGO-JKSUJKDBSA-N 2 0 376.505 -0.089 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000424528056 1072601464 /nfs/dbraw/zinc/60/14/64/1072601464.db2.gz TVJNFQNRTXBJDO-DLBZAZTESA-N 2 0 379.549 -0.023 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000424528057 1072601534 /nfs/dbraw/zinc/60/15/34/1072601534.db2.gz TVJNFQNRTXBJDO-IAGOWNOFSA-N 2 0 379.549 -0.023 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000424528058 1072601243 /nfs/dbraw/zinc/60/12/43/1072601243.db2.gz TVJNFQNRTXBJDO-IRXDYDNUSA-N 2 0 379.549 -0.023 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC000424528059 1072601653 /nfs/dbraw/zinc/60/16/53/1072601653.db2.gz TVJNFQNRTXBJDO-SJORKVTESA-N 2 0 379.549 -0.023 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424536909 1072601989 /nfs/dbraw/zinc/60/19/89/1072601989.db2.gz BXLOBKPPPCGAFJ-DLBZAZTESA-N 2 0 394.520 -0.510 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000424538901 1072603163 /nfs/dbraw/zinc/60/31/63/1072603163.db2.gz DWSSZESGMBERIZ-DLBZAZTESA-N 2 0 376.505 -0.137 20 0 GBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424542151 1072604849 /nfs/dbraw/zinc/60/48/49/1072604849.db2.gz HZQLYNKBCCQCGG-LLLHUVSDSA-N 2 0 376.505 -0.138 20 0 GBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424542157 1072605034 /nfs/dbraw/zinc/60/50/34/1072605034.db2.gz HZQLYNKBCCQCGG-QMCVQRASSA-N 2 0 376.505 -0.138 20 0 GBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424542162 1072604896 /nfs/dbraw/zinc/60/48/96/1072604896.db2.gz HZQLYNKBCCQCGG-XBVQOTNRSA-N 2 0 376.505 -0.138 20 0 GBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424542165 1072604862 /nfs/dbraw/zinc/60/48/62/1072604862.db2.gz HZQLYNKBCCQCGG-XLNGHYISSA-N 2 0 376.505 -0.138 20 0 GBADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542568 1072604893 /nfs/dbraw/zinc/60/48/93/1072604893.db2.gz FSVPZFWUIYTALY-CVEARBPZSA-N 2 0 393.532 -0.319 20 0 GBADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542569 1072604888 /nfs/dbraw/zinc/60/48/88/1072604888.db2.gz FSVPZFWUIYTALY-HOTGVXAUSA-N 2 0 393.532 -0.319 20 0 GBADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542570 1072604999 /nfs/dbraw/zinc/60/49/99/1072604999.db2.gz FSVPZFWUIYTALY-HZPDHXFCSA-N 2 0 393.532 -0.319 20 0 GBADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC[NH2+]CC2 ZINC000424542571 1072604900 /nfs/dbraw/zinc/60/49/00/1072604900.db2.gz FSVPZFWUIYTALY-JKSUJKDBSA-N 2 0 393.532 -0.319 20 0 GBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546425 1072604964 /nfs/dbraw/zinc/60/49/64/1072604964.db2.gz IYSXFKKYCRZZFH-HDEZJCGLSA-N 2 0 376.505 -0.090 20 0 GBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546427 1072604947 /nfs/dbraw/zinc/60/49/47/1072604947.db2.gz IYSXFKKYCRZZFH-NXNVCVFFSA-N 2 0 376.505 -0.090 20 0 GBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546428 1072605791 /nfs/dbraw/zinc/60/57/91/1072605791.db2.gz IYSXFKKYCRZZFH-TXCZRRACSA-N 2 0 376.505 -0.090 20 0 GBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546429 1072605609 /nfs/dbraw/zinc/60/56/09/1072605609.db2.gz IYSXFKKYCRZZFH-YQFWSFKMSA-N 2 0 376.505 -0.090 20 0 GBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424548998 1072606017 /nfs/dbraw/zinc/60/60/17/1072606017.db2.gz LRKDNRCFYYGNSA-DLBZAZTESA-N 2 0 376.505 -0.089 20 0 GBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424549320 1072605915 /nfs/dbraw/zinc/60/59/15/1072605915.db2.gz MBFPZFFPKTZRIN-DLBZAZTESA-N 2 0 376.505 -0.090 20 0 GBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424550314 1072605930 /nfs/dbraw/zinc/60/59/30/1072605930.db2.gz NAHPIAWETZMPTB-BHYGNILZSA-N 2 0 376.505 -0.090 20 0 GBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424550315 1072605737 /nfs/dbraw/zinc/60/57/37/1072605737.db2.gz NAHPIAWETZMPTB-HYVNUMGLSA-N 2 0 376.505 -0.090 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)Cc3ccco3)C[C@H]2[NH3+])cn1 ZINC000424550626 1072606011 /nfs/dbraw/zinc/60/60/11/1072606011.db2.gz SXMRSOSTHNNZNM-DLBZAZTESA-N 2 0 388.472 -0.143 20 0 GBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424552386 1072606544 /nfs/dbraw/zinc/60/65/44/1072606544.db2.gz YAJQJEBPUGCIJX-BHYGNILZSA-N 2 0 376.505 -0.137 20 0 GBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424552387 1072606564 /nfs/dbraw/zinc/60/65/64/1072606564.db2.gz YAJQJEBPUGCIJX-HYVNUMGLSA-N 2 0 376.505 -0.137 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000424553127 1072606613 /nfs/dbraw/zinc/60/66/13/1072606613.db2.gz YYUVQMHQTCEBAZ-IXDOHACOSA-N 2 0 392.504 -0.758 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000424553128 1072606915 /nfs/dbraw/zinc/60/69/15/1072606915.db2.gz YYUVQMHQTCEBAZ-YESZJQIVSA-N 2 0 392.504 -0.758 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000424562695 1072607825 /nfs/dbraw/zinc/60/78/25/1072607825.db2.gz ZKTPCJMMBAKGTR-BHYGNILZSA-N 2 0 376.505 -0.090 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000424562705 1072607791 /nfs/dbraw/zinc/60/77/91/1072607791.db2.gz ZKTPCJMMBAKGTR-HYVNUMGLSA-N 2 0 376.505 -0.090 20 0 GBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)C2)CC1 ZINC000425379152 1072695651 /nfs/dbraw/zinc/69/56/51/1072695651.db2.gz CZAJPWSERLOOLG-OKZBNKHCSA-N 2 0 377.533 -0.223 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)C2)CC1 ZINC000425379153 1072695804 /nfs/dbraw/zinc/69/58/04/1072695804.db2.gz CZAJPWSERLOOLG-RCCFBDPRSA-N 2 0 377.533 -0.223 20 0 GBADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000425394247 1072702611 /nfs/dbraw/zinc/70/26/11/1072702611.db2.gz WAYRYPCOQCJYCE-DLBZAZTESA-N 2 0 391.516 -0.694 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425395440 1072703176 /nfs/dbraw/zinc/70/31/76/1072703176.db2.gz XSBAUVHTAVUAON-DLBZAZTESA-N 2 0 393.532 -0.448 20 0 GBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425402858 1072709275 /nfs/dbraw/zinc/70/92/75/1072709275.db2.gz NMHTXWOKGHFDIW-GVDBMIGSSA-N 2 0 391.516 -0.696 20 0 GBADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425402859 1072709170 /nfs/dbraw/zinc/70/91/70/1072709170.db2.gz NMHTXWOKGHFDIW-YESZJQIVSA-N 2 0 391.516 -0.696 20 0 GBADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)[C@@H]2C1 ZINC000425821279 1072823665 /nfs/dbraw/zinc/82/36/65/1072823665.db2.gz QNCKVDVSMFNWNQ-DOTOQJQBSA-N 2 0 390.488 -0.294 20 0 GBADRP COCC(C)(C)N1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000425874311 1072838272 /nfs/dbraw/zinc/83/82/72/1072838272.db2.gz RIYPCOZDNLRGTE-UHFFFAOYSA-N 2 0 397.564 -0.302 20 0 GBADRP COCC(C)(C)N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000425889235 1072843413 /nfs/dbraw/zinc/84/34/13/1072843413.db2.gz QEGQDMUJPWJQNW-UHFFFAOYSA-N 2 0 397.564 -0.302 20 0 GBADRP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@H](C)C3)CC2)CC[C@@H]1O ZINC000426154470 1072909798 /nfs/dbraw/zinc/90/97/98/1072909798.db2.gz RLFCINZDZJIOBI-BDXSIMOUSA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@@H]1O ZINC000426154471 1072909364 /nfs/dbraw/zinc/90/93/64/1072909364.db2.gz RLFCINZDZJIOBI-MHORFTMASA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@H](C)C3)CC2)CC[C@H]1O ZINC000426154472 1072909409 /nfs/dbraw/zinc/90/94/09/1072909409.db2.gz RLFCINZDZJIOBI-TVFCKZIOSA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@@H](C)C3)CC2)CC[C@H]1O ZINC000426154473 1072910685 /nfs/dbraw/zinc/91/06/85/1072910685.db2.gz RLFCINZDZJIOBI-USTZCAOPSA-N 2 0 396.532 -0.937 20 0 GBADRP O=C(C[NH+]1CCC[C@H]1CCO)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000426203252 1072916847 /nfs/dbraw/zinc/91/68/47/1072916847.db2.gz YZXVSSLNZLTDGU-HDICACEKSA-N 2 0 396.532 -0.649 20 0 GBADRP O=C(C[NH+]1CCC[C@@H]1CCO)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000426203253 1072916737 /nfs/dbraw/zinc/91/67/37/1072916737.db2.gz YZXVSSLNZLTDGU-QZTJIDSGSA-N 2 0 396.532 -0.649 20 0 GBADRP O=C(C[NH+]1CCC[C@H]1CCO)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000426203254 1072916662 /nfs/dbraw/zinc/91/66/62/1072916662.db2.gz YZXVSSLNZLTDGU-ROUUACIJSA-N 2 0 396.532 -0.649 20 0 GBADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000429930039 1073900948 /nfs/dbraw/zinc/90/09/48/1073900948.db2.gz WZMQSBJCBXOFQH-UHFFFAOYSA-N 2 0 393.492 -0.946 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000430113017 1072643455 /nfs/dbraw/zinc/64/34/55/1072643455.db2.gz GXHDWNQRUQEXIF-INIZCTEOSA-N 2 0 389.566 -0.065 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000430113018 1072643370 /nfs/dbraw/zinc/64/33/70/1072643370.db2.gz GXHDWNQRUQEXIF-MRXNPFEDSA-N 2 0 389.566 -0.065 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000430113547 530211333 /nfs/dbraw/zinc/21/13/33/530211333.db2.gz MATZZPDCGPVRFG-UHFFFAOYSA-N 2 0 377.555 -0.207 20 0 GBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000430556569 1072564305 /nfs/dbraw/zinc/56/43/05/1072564305.db2.gz UXIIGFXZVIKSMU-UHFFFAOYSA-N 2 0 397.564 -0.125 20 0 GBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(OCCC[NH3+])CC1)c(=O)n2C ZINC000430577076 1072573647 /nfs/dbraw/zinc/57/36/47/1072573647.db2.gz UFBBZTIFSDQPLR-UHFFFAOYSA-N 2 0 378.477 -0.346 20 0 GBADRP NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430594017 1072579843 /nfs/dbraw/zinc/57/98/43/1072579843.db2.gz USCGWOZXHILJNN-UHFFFAOYSA-N 2 0 398.529 -0.178 20 0 GBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603195 1072587352 /nfs/dbraw/zinc/58/73/52/1072587352.db2.gz JDUAVWSFOARZBN-DOTOQJQBSA-N 2 0 379.505 -0.791 20 0 GBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603197 1072588227 /nfs/dbraw/zinc/58/82/27/1072588227.db2.gz JDUAVWSFOARZBN-NVXWUHKLSA-N 2 0 379.505 -0.791 20 0 GBADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603199 1072587975 /nfs/dbraw/zinc/58/79/75/1072587975.db2.gz JDUAVWSFOARZBN-RDJZCZTQSA-N 2 0 379.505 -0.791 20 0 GBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430603201 1072587743 /nfs/dbraw/zinc/58/77/43/1072587743.db2.gz JDUAVWSFOARZBN-WBVHZDCISA-N 2 0 379.505 -0.791 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000430605180 1072591606 /nfs/dbraw/zinc/59/16/06/1072591606.db2.gz PZHIAWYULSOJIW-DLBZAZTESA-N 3 0 383.537 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[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000430608807 1072600337 /nfs/dbraw/zinc/60/03/37/1072600337.db2.gz FEIDDISFLLFWQE-INIZCTEOSA-N 2 0 381.521 -0.318 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000430608810 1072600269 /nfs/dbraw/zinc/60/02/69/1072600269.db2.gz FEIDDISFLLFWQE-MRXNPFEDSA-N 2 0 381.521 -0.318 20 0 GBADRP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430610940 1072604772 /nfs/dbraw/zinc/60/47/72/1072604772.db2.gz MTCAGAPIKLPLJN-KRWDZBQOSA-N 2 0 395.548 -0.121 20 0 GBADRP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430610941 1072604449 /nfs/dbraw/zinc/60/44/49/1072604449.db2.gz MTCAGAPIKLPLJN-QGZVFWFLSA-N 2 0 395.548 -0.121 20 0 GBADRP C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430619724 1072615297 /nfs/dbraw/zinc/61/52/97/1072615297.db2.gz ALBUUNMRXGFLBB-UHFFFAOYSA-N 2 0 383.474 -0.974 20 0 GBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000430620662 1072616736 /nfs/dbraw/zinc/61/67/36/1072616736.db2.gz CHWMLDQBFMBEEB-KRWDZBQOSA-N 2 0 391.516 -0.789 20 0 GBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000430620663 1072616981 /nfs/dbraw/zinc/61/69/81/1072616981.db2.gz CHWMLDQBFMBEEB-QGZVFWFLSA-N 2 0 391.516 -0.789 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430623734 1072619152 /nfs/dbraw/zinc/61/91/52/1072619152.db2.gz HVRKHESTXDFJSX-KRWDZBQOSA-N 2 0 388.516 -0.093 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430623738 1072619117 /nfs/dbraw/zinc/61/91/17/1072619117.db2.gz HVRKHESTXDFJSX-QGZVFWFLSA-N 2 0 388.516 -0.093 20 0 GBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000430623840 1072618660 /nfs/dbraw/zinc/61/86/60/1072618660.db2.gz NMMHFFFEFKQYTF-INIZCTEOSA-N 3 0 377.533 -0.127 20 0 GBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000430623841 1072618887 /nfs/dbraw/zinc/61/88/87/1072618887.db2.gz NMMHFFFEFKQYTF-MRXNPFEDSA-N 3 0 377.533 -0.127 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000430627377 1072621007 /nfs/dbraw/zinc/62/10/07/1072621007.db2.gz MYIDFWWAXWFSGF-GFCCVEGCSA-N 2 0 397.426 -0.194 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000430627378 1072620880 /nfs/dbraw/zinc/62/08/80/1072620880.db2.gz MYIDFWWAXWFSGF-LBPRGKRZSA-N 2 0 397.426 -0.194 20 0 GBADRP NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000430629037 1072621060 /nfs/dbraw/zinc/62/10/60/1072621060.db2.gz PHTWQAHQFLLKQI-AWEZNQCLSA-N 2 0 393.463 -0.179 20 0 GBADRP NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000430629038 1072620814 /nfs/dbraw/zinc/62/08/14/1072620814.db2.gz PHTWQAHQFLLKQI-CQSZACIVSA-N 2 0 393.463 -0.179 20 0 GBADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430629477 1072622005 /nfs/dbraw/zinc/62/20/05/1072622005.db2.gz QEEBKJDNHHJLBT-CYBMUJFWSA-N 2 0 397.501 -0.551 20 0 GBADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430629479 1072622422 /nfs/dbraw/zinc/62/24/22/1072622422.db2.gz QEEBKJDNHHJLBT-ZDUSSCGKSA-N 2 0 397.501 -0.551 20 0 GBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631014 1072622337 /nfs/dbraw/zinc/62/23/37/1072622337.db2.gz STGBWBSWCNZRDT-DLBZAZTESA-N 2 0 379.505 -0.743 20 0 GBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631015 1072622236 /nfs/dbraw/zinc/62/22/36/1072622236.db2.gz STGBWBSWCNZRDT-IAGOWNOFSA-N 2 0 379.505 -0.743 20 0 GBADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631017 1072622404 /nfs/dbraw/zinc/62/24/04/1072622404.db2.gz STGBWBSWCNZRDT-IRXDYDNUSA-N 2 0 379.505 -0.743 20 0 GBADRP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000430631019 1072622718 /nfs/dbraw/zinc/62/27/18/1072622718.db2.gz STGBWBSWCNZRDT-SJORKVTESA-N 2 0 379.505 -0.743 20 0 GBADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430631867 1072623647 /nfs/dbraw/zinc/62/36/47/1072623647.db2.gz VUSLHXLLGUMBBW-UHFFFAOYSA-N 2 0 395.548 -0.499 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000430632291 1072623741 /nfs/dbraw/zinc/62/37/41/1072623741.db2.gz XXCWWMYIIWQGBW-AWEZNQCLSA-N 2 0 392.456 -0.303 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000430632292 1072623978 /nfs/dbraw/zinc/62/39/78/1072623978.db2.gz XXCWWMYIIWQGBW-CQSZACIVSA-N 2 0 392.456 -0.303 20 0 GBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000430633283 1072623817 /nfs/dbraw/zinc/62/38/17/1072623817.db2.gz BROSTZVLLAWGHJ-INIZCTEOSA-N 2 0 379.505 -0.741 20 0 GBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCCN1CCCC1=O ZINC000430633284 1072623713 /nfs/dbraw/zinc/62/37/13/1072623713.db2.gz BROSTZVLLAWGHJ-MRXNPFEDSA-N 2 0 379.505 -0.741 20 0 GBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633585 1072623619 /nfs/dbraw/zinc/62/36/19/1072623619.db2.gz CGAIGJQDXQPVCR-CVEARBPZSA-N 2 0 389.504 -0.699 20 0 GBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633586 1072623896 /nfs/dbraw/zinc/62/38/96/1072623896.db2.gz CGAIGJQDXQPVCR-HOTGVXAUSA-N 2 0 389.504 -0.699 20 0 GBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633587 1072624009 /nfs/dbraw/zinc/62/40/09/1072624009.db2.gz CGAIGJQDXQPVCR-HZPDHXFCSA-N 2 0 389.504 -0.699 20 0 GBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633588 1072623833 /nfs/dbraw/zinc/62/38/33/1072623833.db2.gz CGAIGJQDXQPVCR-JKSUJKDBSA-N 2 0 389.504 -0.699 20 0 GBADRP Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430633601 1072623595 /nfs/dbraw/zinc/62/35/95/1072623595.db2.gz ADNGZKUMTNWULB-UHFFFAOYSA-N 2 0 399.517 -0.205 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430641340 1072157145 /nfs/dbraw/zinc/15/71/45/1072157145.db2.gz MCAGCAPSENFAAY-INIZCTEOSA-N 2 0 389.504 -0.698 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430641341 1072157034 /nfs/dbraw/zinc/15/70/34/1072157034.db2.gz MCAGCAPSENFAAY-MRXNPFEDSA-N 2 0 389.504 -0.698 20 0 GBADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430642693 1072157832 /nfs/dbraw/zinc/15/78/32/1072157832.db2.gz VXBCLZJZMDILBO-HNNXBMFYSA-N 2 0 396.513 -0.143 20 0 GBADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430642695 1072157718 /nfs/dbraw/zinc/15/77/18/1072157718.db2.gz VXBCLZJZMDILBO-OAHLLOKOSA-N 2 0 396.513 -0.143 20 0 GBADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430643418 1072158604 /nfs/dbraw/zinc/15/86/04/1072158604.db2.gz LUBHKMPIHARKCA-GFCCVEGCSA-N 2 0 393.410 -0.092 20 0 GBADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430643420 1072158768 /nfs/dbraw/zinc/15/87/68/1072158768.db2.gz LUBHKMPIHARKCA-LBPRGKRZSA-N 2 0 393.410 -0.092 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430646506 1072159993 /nfs/dbraw/zinc/15/99/93/1072159993.db2.gz WHSQSOXFRMSHMP-CABCVRRESA-N 2 0 376.457 -0.271 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430646507 1072160548 /nfs/dbraw/zinc/16/05/48/1072160548.db2.gz WHSQSOXFRMSHMP-GJZGRUSLSA-N 2 0 376.457 -0.271 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430646508 1072160195 /nfs/dbraw/zinc/16/01/95/1072160195.db2.gz WHSQSOXFRMSHMP-HUUCEWRRSA-N 2 0 376.457 -0.271 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430646509 1072160154 /nfs/dbraw/zinc/16/01/54/1072160154.db2.gz WHSQSOXFRMSHMP-LSDHHAIUSA-N 2 0 376.457 -0.271 20 0 GBADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647388 530377357 /nfs/dbraw/zinc/37/73/57/530377357.db2.gz PZRUVHWSDZMPBL-HNNXBMFYSA-N 2 0 376.523 -0.914 20 0 GBADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647390 530377434 /nfs/dbraw/zinc/37/74/34/530377434.db2.gz PZRUVHWSDZMPBL-OAHLLOKOSA-N 2 0 376.523 -0.914 20 0 GBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430649865 1072161456 /nfs/dbraw/zinc/16/14/56/1072161456.db2.gz TZVNGTIUVIQUNH-LLVKDONJSA-N 2 0 379.383 -0.482 20 0 GBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCC(F)(F)F ZINC000430649866 1072161266 /nfs/dbraw/zinc/16/12/66/1072161266.db2.gz TZVNGTIUVIQUNH-NSHDSACASA-N 2 0 379.383 -0.482 20 0 GBADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652138 1072166834 /nfs/dbraw/zinc/16/68/34/1072166834.db2.gz XETZLORJSVGLFK-GDBMZVCRSA-N 2 0 379.505 -0.757 20 0 GBADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652141 1072166936 /nfs/dbraw/zinc/16/69/36/1072166936.db2.gz XETZLORJSVGLFK-GOEBONIOSA-N 2 0 379.505 -0.757 20 0 GBADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652143 1072167201 /nfs/dbraw/zinc/16/72/01/1072167201.db2.gz XETZLORJSVGLFK-HOCLYGCPSA-N 2 0 379.505 -0.757 20 0 GBADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652146 1072167055 /nfs/dbraw/zinc/16/70/55/1072167055.db2.gz XETZLORJSVGLFK-ZBFHGGJFSA-N 2 0 379.505 -0.757 20 0 GBADRP Cc1c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430865994 1072218150 /nfs/dbraw/zinc/21/81/50/1072218150.db2.gz FMQZNLGLNVSNAD-UHFFFAOYSA-N 2 0 389.504 -0.109 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430869567 1072218012 /nfs/dbraw/zinc/21/80/12/1072218012.db2.gz QQRQLCSXVAGLMT-UHFFFAOYSA-N 2 0 375.477 -0.417 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430873242 1072219189 /nfs/dbraw/zinc/21/91/89/1072219189.db2.gz QOAFJUAHWKRSEH-INIZCTEOSA-N 2 0 377.493 -0.125 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430873243 1072218867 /nfs/dbraw/zinc/21/88/67/1072218867.db2.gz QOAFJUAHWKRSEH-MRXNPFEDSA-N 2 0 377.493 -0.125 20 0 GBADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000430955095 1072224620 /nfs/dbraw/zinc/22/46/20/1072224620.db2.gz LJZKLXSOKZMMPC-UHFFFAOYSA-N 2 0 386.504 -0.057 20 0 GBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431284749 1072289176 /nfs/dbraw/zinc/28/91/76/1072289176.db2.gz RFDZFRQCQPJZQO-KRWDZBQOSA-N 2 0 382.553 -0.086 20 0 GBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431284752 1072289063 /nfs/dbraw/zinc/28/90/63/1072289063.db2.gz RFDZFRQCQPJZQO-QGZVFWFLSA-N 2 0 382.553 -0.086 20 0 GBADRP Cc1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@@H+]2CCCOCC2)n1 ZINC000432819176 1073767849 /nfs/dbraw/zinc/76/78/49/1073767849.db2.gz NYRQFXKSFUPIQZ-UHFFFAOYSA-N 2 0 379.509 -0.708 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000432979284 1073862334 /nfs/dbraw/zinc/86/23/34/1073862334.db2.gz WZVLBOQWTAWDEJ-UHFFFAOYSA-N 2 0 379.509 0.558 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000433129337 1073880217 /nfs/dbraw/zinc/88/02/17/1073880217.db2.gz DCZITLSCGCZBFW-UHFFFAOYSA-N 2 0 379.505 -0.517 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000433131514 530356130 /nfs/dbraw/zinc/35/61/30/530356130.db2.gz AAMOXQTXTAPTFJ-UHFFFAOYSA-N 2 0 378.564 -0.316 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000433143833 1073885202 /nfs/dbraw/zinc/88/52/02/1073885202.db2.gz JMRKYCIUNUFNAP-INIZCTEOSA-N 2 0 390.550 -0.206 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000433143834 1073885080 /nfs/dbraw/zinc/88/50/80/1073885080.db2.gz JMRKYCIUNUFNAP-MRXNPFEDSA-N 2 0 390.550 -0.206 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000433148014 1073883920 /nfs/dbraw/zinc/88/39/20/1073883920.db2.gz PUXJPGMQWUSEMC-KRWDZBQOSA-N 2 0 381.521 -0.761 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000433148015 1073883646 /nfs/dbraw/zinc/88/36/46/1073883646.db2.gz PUXJPGMQWUSEMC-QGZVFWFLSA-N 2 0 381.521 -0.761 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000433150666 1073885103 /nfs/dbraw/zinc/88/51/03/1073885103.db2.gz MFIOSMLSDZMKGY-UHFFFAOYSA-N 2 0 381.521 -0.807 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000433161125 1073885976 /nfs/dbraw/zinc/88/59/76/1073885976.db2.gz QQCMOJKAQMPMST-UHFFFAOYSA-N 2 0 375.521 -0.082 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000433165948 1073888078 /nfs/dbraw/zinc/88/80/78/1073888078.db2.gz WKDBDFSUVUFTJX-UHFFFAOYSA-N 3 0 379.509 -0.297 20 0 GBADRP Cc1cc(NC(=O)CN2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)no1 ZINC000433166059 1073888183 /nfs/dbraw/zinc/88/81/83/1073888183.db2.gz JLCGVEMSZRZRFP-UHFFFAOYSA-N 2 0 392.504 0.269 20 0 GBADRP C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433171819 1073888247 /nfs/dbraw/zinc/88/82/47/1073888247.db2.gz BJGXPAPAHXNOGE-KRWDZBQOSA-N 2 0 395.548 -0.419 20 0 GBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433171820 1073888104 /nfs/dbraw/zinc/88/81/04/1073888104.db2.gz BJGXPAPAHXNOGE-QGZVFWFLSA-N 2 0 395.548 -0.419 20 0 GBADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000433176373 1073889857 /nfs/dbraw/zinc/88/98/57/1073889857.db2.gz OPXRRBMBUJPSMN-UHFFFAOYSA-N 2 0 381.521 -0.807 20 0 GBADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433176695 1073890036 /nfs/dbraw/zinc/89/00/36/1073890036.db2.gz OZTAIUGRXUMBPL-KRWDZBQOSA-N 2 0 397.564 -0.125 20 0 GBADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433176696 1073890190 /nfs/dbraw/zinc/89/01/90/1073890190.db2.gz OZTAIUGRXUMBPL-QGZVFWFLSA-N 2 0 397.564 -0.125 20 0 GBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433640720 1073958573 /nfs/dbraw/zinc/95/85/73/1073958573.db2.gz VXFOUUPYSCCHCB-HNNXBMFYSA-N 2 0 380.493 0.000 20 0 GBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCCO1 ZINC000433640721 1073958083 /nfs/dbraw/zinc/95/80/83/1073958083.db2.gz VXFOUUPYSCCHCB-OAHLLOKOSA-N 2 0 380.493 0.000 20 0 GBADRP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(=O)N(C)C ZINC000434250939 1072617129 /nfs/dbraw/zinc/61/71/29/1072617129.db2.gz TZJSFBQDXOWQQT-INIZCTEOSA-N 2 0 383.537 -0.206 20 0 GBADRP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(=O)N(C)C ZINC000434250940 1072617010 /nfs/dbraw/zinc/61/70/10/1072617010.db2.gz TZJSFBQDXOWQQT-MRXNPFEDSA-N 2 0 383.537 -0.206 20 0 GBADRP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(=O)N(C)C ZINC000434251338 1072616812 /nfs/dbraw/zinc/61/68/12/1072616812.db2.gz VRSCTKMESWHXFJ-INIZCTEOSA-N 2 0 383.537 -0.202 20 0 GBADRP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C(=O)N(C)C ZINC000434251339 1072616796 /nfs/dbraw/zinc/61/67/96/1072616796.db2.gz VRSCTKMESWHXFJ-MRXNPFEDSA-N 2 0 383.537 -0.202 20 0 GBADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OCC(N)=O ZINC000435376747 1072691162 /nfs/dbraw/zinc/69/11/62/1072691162.db2.gz UKQXQPJNOKLITB-AWEZNQCLSA-N 2 0 394.472 -0.145 20 0 GBADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OCC(N)=O ZINC000435376748 1072691310 /nfs/dbraw/zinc/69/13/10/1072691310.db2.gz UKQXQPJNOKLITB-CQSZACIVSA-N 2 0 394.472 -0.145 20 0 GBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000435515609 1072699570 /nfs/dbraw/zinc/69/95/70/1072699570.db2.gz QBMNKVWDAKRBNA-KRWDZBQOSA-N 2 0 384.521 -0.034 20 0 GBADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000435515610 1072699490 /nfs/dbraw/zinc/69/94/90/1072699490.db2.gz QBMNKVWDAKRBNA-QGZVFWFLSA-N 2 0 384.521 -0.034 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053136 1072730833 /nfs/dbraw/zinc/73/08/33/1072730833.db2.gz NUMXQXDXZKGLCW-MSOLQXFVSA-N 2 0 397.564 -0.221 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436053137 1072730979 /nfs/dbraw/zinc/73/09/79/1072730979.db2.gz NUMXQXDXZKGLCW-QZTJIDSGSA-N 2 0 397.564 -0.221 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053138 1072731122 /nfs/dbraw/zinc/73/11/22/1072731122.db2.gz NUMXQXDXZKGLCW-ROUUACIJSA-N 2 0 397.564 -0.221 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436053139 1072731242 /nfs/dbraw/zinc/73/12/42/1072731242.db2.gz NUMXQXDXZKGLCW-ZWKOTPCHSA-N 2 0 397.564 -0.221 20 0 GBADRP C[C@@H](NC(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062581 1072730181 /nfs/dbraw/zinc/73/01/81/1072730181.db2.gz RYHPFLHEBZKVBT-CVEARBPZSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@H](NC(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062583 1072730203 /nfs/dbraw/zinc/73/02/03/1072730203.db2.gz RYHPFLHEBZKVBT-HOTGVXAUSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@@H](NC(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062584 1072730060 /nfs/dbraw/zinc/73/00/60/1072730060.db2.gz RYHPFLHEBZKVBT-HZPDHXFCSA-N 2 0 381.521 -0.177 20 0 GBADRP C[C@H](NC(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])C(=O)N1CCCCC1 ZINC000436062585 1072730257 /nfs/dbraw/zinc/73/02/57/1072730257.db2.gz RYHPFLHEBZKVBT-JKSUJKDBSA-N 2 0 381.521 -0.177 20 0 GBADRP CNC(=O)[C@@H](NC(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063145 1072730366 /nfs/dbraw/zinc/73/03/66/1072730366.db2.gz XDFANBXALRXPES-APWZRJJASA-N 2 0 389.500 -0.091 20 0 GBADRP CNC(=O)[C@@H](NC(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063146 1072730352 /nfs/dbraw/zinc/73/03/52/1072730352.db2.gz XDFANBXALRXPES-LPHOPBHVSA-N 2 0 389.500 -0.091 20 0 GBADRP CNC(=O)[C@H](NC(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063147 1072730086 /nfs/dbraw/zinc/73/00/86/1072730086.db2.gz XDFANBXALRXPES-QFBILLFUSA-N 2 0 389.500 -0.091 20 0 GBADRP CNC(=O)[C@H](NC(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000436063148 1072730133 /nfs/dbraw/zinc/73/01/33/1072730133.db2.gz XDFANBXALRXPES-VQIMIIECSA-N 2 0 389.500 -0.091 20 0 GBADRP NS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436063778 1072729888 /nfs/dbraw/zinc/72/98/88/1072729888.db2.gz LHYHYANGXSAGGR-AWEZNQCLSA-N 2 0 397.501 -0.408 20 0 GBADRP NS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436063779 1072730016 /nfs/dbraw/zinc/73/00/16/1072730016.db2.gz LHYHYANGXSAGGR-CQSZACIVSA-N 2 0 397.501 -0.408 20 0 GBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000436140710 1072732852 /nfs/dbraw/zinc/73/28/52/1072732852.db2.gz KVGBTWVRZRFVHW-GOSISDBHSA-N 2 0 399.580 -0.137 20 0 GBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000436140711 1072732501 /nfs/dbraw/zinc/73/25/01/1072732501.db2.gz KVGBTWVRZRFVHW-SFHVURJKSA-N 2 0 399.580 -0.137 20 0 GBADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436147938 1072733331 /nfs/dbraw/zinc/73/33/31/1072733331.db2.gz DUXTUJKXOGQMBB-GOSISDBHSA-N 2 0 399.580 -0.137 20 0 GBADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436147939 1072733741 /nfs/dbraw/zinc/73/37/41/1072733741.db2.gz DUXTUJKXOGQMBB-SFHVURJKSA-N 2 0 399.580 -0.137 20 0 GBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438309596 1072877511 /nfs/dbraw/zinc/87/75/11/1072877511.db2.gz ZEOKIJPKXFDWGM-INIZCTEOSA-N 2 0 380.493 0.448 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438309597 1072878170 /nfs/dbraw/zinc/87/81/70/1072878170.db2.gz ZEOKIJPKXFDWGM-MRXNPFEDSA-N 2 0 380.493 0.448 20 0 GBADRP O=C(CCCC(=O)NCC[N@@H+]1CCCOCC1)NCC[NH+]1CCCOCC1 ZINC000438674395 1072902775 /nfs/dbraw/zinc/90/27/75/1072902775.db2.gz PUQPJQCSPFATTG-UHFFFAOYSA-N 2 0 384.521 -0.166 20 0 GBADRP O=C(NCC[NH+]1CCCOCC1)C1(C(=O)NCC[N@@H+]2CCCOCC2)CCC1 ZINC000438684647 1072902734 /nfs/dbraw/zinc/90/27/34/1072902734.db2.gz YNDDFYUIEUPJQT-UHFFFAOYSA-N 2 0 396.532 -0.166 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)n1 ZINC000438708847 1072904856 /nfs/dbraw/zinc/90/48/56/1072904856.db2.gz IUZJFUGFVHOXSB-UHFFFAOYSA-N 2 0 379.509 0.544 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438714690 1072905067 /nfs/dbraw/zinc/90/50/67/1072905067.db2.gz MKRFLGJBUFLOMR-HNNXBMFYSA-N 2 0 379.509 0.509 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438714691 1072905300 /nfs/dbraw/zinc/90/53/00/1072905300.db2.gz MKRFLGJBUFLOMR-OAHLLOKOSA-N 2 0 379.509 0.509 20 0 GBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439215719 1072936561 /nfs/dbraw/zinc/93/65/61/1072936561.db2.gz QAHCZRGEXVBTSF-UHFFFAOYSA-N 2 0 393.492 -0.946 20 0 GBADRP O=C(C[NH+](CCO)C1CCC1)N1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1 ZINC000439290380 1072940591 /nfs/dbraw/zinc/94/05/91/1072940591.db2.gz WTTJOTKOPJSOCG-UHFFFAOYSA-N 2 0 396.532 -0.649 20 0 GBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439345879 1072945538 /nfs/dbraw/zinc/94/55/38/1072945538.db2.gz GWOHSASEKVGNBF-AWEZNQCLSA-N 2 0 393.492 -0.948 20 0 GBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439345884 1072945292 /nfs/dbraw/zinc/94/52/92/1072945292.db2.gz GWOHSASEKVGNBF-CQSZACIVSA-N 2 0 393.492 -0.948 20 0 GBADRP Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000439497340 1072953865 /nfs/dbraw/zinc/95/38/65/1072953865.db2.gz WLVZGUNREWFMIW-UHFFFAOYSA-N 2 0 385.472 0.391 20 0 GBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCCC[NH+]3CCN(CCO)CC3)C2=O)n1 ZINC000439594285 1072958504 /nfs/dbraw/zinc/95/85/04/1072958504.db2.gz WTNZHTULNJINBP-KRWDZBQOSA-N 2 0 378.521 -0.105 20 0 GBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCCC[NH+]3CCN(CCO)CC3)C2=O)n1 ZINC000439594286 1072958135 /nfs/dbraw/zinc/95/81/35/1072958135.db2.gz WTNZHTULNJINBP-QGZVFWFLSA-N 2 0 378.521 -0.105 20 0 GBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCCC[NH+]3CCN(CCO)CC3)C2=O)cn1 ZINC000439596336 1072958454 /nfs/dbraw/zinc/95/84/54/1072958454.db2.gz ZHDCCJQNRBPTQL-GOSISDBHSA-N 2 0 378.521 -0.105 20 0 GBADRP Cn1cc(N2CCC[C@H]([NH2+]CCCC[NH+]3CCN(CCO)CC3)C2=O)cn1 ZINC000439596337 1072958189 /nfs/dbraw/zinc/95/81/89/1072958189.db2.gz ZHDCCJQNRBPTQL-SFHVURJKSA-N 2 0 378.521 -0.105 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC000440992550 1073103484 /nfs/dbraw/zinc/10/34/84/1073103484.db2.gz ZHXSOHYOAGDMKI-INIZCTEOSA-N 2 0 382.553 -0.101 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC000440992558 1073103121 /nfs/dbraw/zinc/10/31/21/1073103121.db2.gz ZHXSOHYOAGDMKI-MRXNPFEDSA-N 2 0 382.553 -0.101 20 0 GBADRP O=C(C[NH2+]C1(CO)CCCC1)N1CCN(C(=O)C[NH2+]C2(CO)CCCC2)CC1 ZINC000441033790 1073105909 /nfs/dbraw/zinc/10/59/09/1073105909.db2.gz MXOKWCZRFTZUNO-UHFFFAOYSA-N 2 0 396.532 -0.553 20 0 GBADRP CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000441121989 1073107874 /nfs/dbraw/zinc/10/78/74/1073107874.db2.gz ROSSLTNMFLVLQW-UHFFFAOYSA-N 2 0 382.505 -0.022 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1(C)C ZINC000441671384 1073191908 /nfs/dbraw/zinc/19/19/08/1073191908.db2.gz PEBKQLBIUDESQC-UHFFFAOYSA-N 2 0 393.536 0.363 20 0 GBADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441897943 1073232651 /nfs/dbraw/zinc/23/26/51/1073232651.db2.gz UBYSETMBVLRJLR-UHFFFAOYSA-N 2 0 377.489 -0.071 20 0 GBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000441922068 1073233545 /nfs/dbraw/zinc/23/35/45/1073233545.db2.gz LLHBUMGREAPTSQ-UHFFFAOYSA-N 2 0 378.477 -0.294 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1(C)C ZINC000442170376 1073247138 /nfs/dbraw/zinc/24/71/38/1073247138.db2.gz LXKFABOBLZYPIA-UHFFFAOYSA-N 2 0 398.596 -0.298 20 0 GBADRP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000442880837 1073275049 /nfs/dbraw/zinc/27/50/49/1073275049.db2.gz GDVVOBHQOVADDK-FZDBZEDMSA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000442880838 1073275081 /nfs/dbraw/zinc/27/50/81/1073275081.db2.gz GDVVOBHQOVADDK-MHORFTMASA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000442880839 1073275643 /nfs/dbraw/zinc/27/56/43/1073275643.db2.gz GDVVOBHQOVADDK-USTZCAOPSA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000442880840 1073275974 /nfs/dbraw/zinc/27/59/74/1073275974.db2.gz GDVVOBHQOVADDK-XMTFNYHQSA-N 2 0 396.532 -0.937 20 0 GBADRP O=S(=O)(CCCS(=O)(=O)NCC[NH+]1CCCC1)NCC[NH+]1CCCC1 ZINC000442911182 530389336 /nfs/dbraw/zinc/38/93/36/530389336.db2.gz DZGGKJQXEZSVST-UHFFFAOYSA-N 2 0 396.579 -0.593 20 0 GBADRP C[C@@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(N)(=O)=O ZINC000443427520 1073295311 /nfs/dbraw/zinc/29/53/11/1073295311.db2.gz IIPHNEXHZBFQAA-AWEZNQCLSA-N 2 0 384.506 -0.430 20 0 GBADRP C[C@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(N)(=O)=O ZINC000443427523 1073295459 /nfs/dbraw/zinc/29/54/59/1073295459.db2.gz IIPHNEXHZBFQAA-CQSZACIVSA-N 2 0 384.506 -0.430 20 0 GBADRP NS(=O)(=O)[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000443432440 1073296172 /nfs/dbraw/zinc/29/61/72/1073296172.db2.gz TZCFYXBDQKGVKP-INIZCTEOSA-N 2 0 396.517 -0.334 20 0 GBADRP NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000443432443 1073296264 /nfs/dbraw/zinc/29/62/64/1073296264.db2.gz TZCFYXBDQKGVKP-MRXNPFEDSA-N 2 0 396.517 -0.334 20 0 GBADRP COC(=O)Cn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cn1 ZINC000444199235 1073464737 /nfs/dbraw/zinc/46/47/37/1073464737.db2.gz VIQSVRGQRFJWNB-UHFFFAOYSA-N 2 0 387.506 -0.297 20 0 GBADRP CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)C)CC1 ZINC000445098563 1073561099 /nfs/dbraw/zinc/56/10/99/1073561099.db2.gz BSXOYKQBBMFXHX-UHFFFAOYSA-N 2 0 375.473 -0.033 20 0 GBADRP Cc1cnc(NCC[N@@H+]2CCCOCC2)nc1NCC[NH+]1CCCOCC1 ZINC000445667200 1073579097 /nfs/dbraw/zinc/57/90/97/1073579097.db2.gz ZGPLNVPUWGDZOJ-UHFFFAOYSA-N 2 0 378.521 -0.103 20 0 GBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)CC2(CO)CC2)CC1)CC1(CO)CC1 ZINC000446066092 1073592484 /nfs/dbraw/zinc/59/24/84/1073592484.db2.gz HWTXGBRTMUXKCX-UHFFFAOYSA-N 2 0 396.532 -0.934 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000446186591 1073596842 /nfs/dbraw/zinc/59/68/42/1073596842.db2.gz KBNDCDAERMWJMK-UHFFFAOYSA-N 2 0 393.492 -0.900 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000446741065 1073618822 /nfs/dbraw/zinc/61/88/22/1073618822.db2.gz JRSAVJCLQUGMCW-INIZCTEOSA-N 2 0 376.505 0.574 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000446741066 1073618649 /nfs/dbraw/zinc/61/86/49/1073618649.db2.gz JRSAVJCLQUGMCW-MRXNPFEDSA-N 2 0 376.505 0.574 20 0 GBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446741148 1073618673 /nfs/dbraw/zinc/61/86/73/1073618673.db2.gz KKWLQYSLZBOEGA-UHFFFAOYSA-N 2 0 394.520 0.343 20 0 GBADRP CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000447754565 530397286 /nfs/dbraw/zinc/39/72/86/530397286.db2.gz BBALZMRIZNGRFG-UHFFFAOYSA-N 2 0 398.595 -0.445 20 0 GBADRP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C(C)(C)C3)CC2)C[C@@H]1O ZINC000447869749 1073664944 /nfs/dbraw/zinc/66/49/44/1073664944.db2.gz ABBWNKIHTVLHJL-HOTGVXAUSA-N 2 0 396.532 -0.937 20 0 GBADRP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C(C)(C)C3)CC2)C[C@H]1O ZINC000447869750 1073665058 /nfs/dbraw/zinc/66/50/58/1073665058.db2.gz ABBWNKIHTVLHJL-HZPDHXFCSA-N 2 0 396.532 -0.937 20 0 GBADRP CC1(C)C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@@H](O)C(C)(C)C3)CC2)C[C@@H]1O ZINC000447869751 1073664781 /nfs/dbraw/zinc/66/47/81/1073664781.db2.gz ABBWNKIHTVLHJL-IYBDPMFKSA-N 2 0 396.532 -0.937 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CC[NH+](C)CC1 ZINC000448532242 1073697393 /nfs/dbraw/zinc/69/73/93/1073697393.db2.gz YAPCQATZWUFWOA-INIZCTEOSA-N 2 0 393.536 -0.229 20 0 GBADRP CC1[C@@H](C(=O)NCCNc2cc[nH+]cc2)[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000449815264 1073726593 /nfs/dbraw/zinc/72/65/93/1073726593.db2.gz PMUJCZNXPZEGKA-QZTJIDSGSA-N 2 0 382.468 -0.041 20 0 GBADRP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000449853840 1073727584 /nfs/dbraw/zinc/72/75/84/1073727584.db2.gz WNMLHBRQIFCCEU-BRSBDYLESA-N 2 0 396.532 -0.458 20 0 GBADRP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C)[C@H]2C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000449853841 1073727150 /nfs/dbraw/zinc/72/71/50/1073727150.db2.gz WNMLHBRQIFCCEU-CWQOZTLDSA-N 2 0 396.532 -0.458 20 0 GBADRP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C(C)[C@H]2C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000449853842 1073727329 /nfs/dbraw/zinc/72/73/29/1073727329.db2.gz WNMLHBRQIFCCEU-WNRNVDISSA-N 2 0 396.532 -0.458 20 0 GBADRP CC1[C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000449878732 1073727696 /nfs/dbraw/zinc/72/76/96/1073727696.db2.gz CFAAKWWQZOBXLC-BRSBDYLESA-N 2 0 396.532 -0.554 20 0 GBADRP C[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000449878738 1073727307 /nfs/dbraw/zinc/72/73/07/1073727307.db2.gz CFAAKWWQZOBXLC-CWQOZTLDSA-N 2 0 396.532 -0.554 20 0 GBADRP CC1[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000449878740 1073727413 /nfs/dbraw/zinc/72/74/13/1073727413.db2.gz CFAAKWWQZOBXLC-WNRNVDISSA-N 2 0 396.532 -0.554 20 0 GBADRP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@H+]1C)CCN1CCOCC1 ZINC000450885739 1073758469 /nfs/dbraw/zinc/75/84/69/1073758469.db2.gz DAGGELHUQHUDCY-QZTJIDSGSA-N 2 0 395.548 -0.548 20 0 GBADRP C[NH+]1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@H+]1C)CCN1CCOCC1 ZINC000450885740 1073758231 /nfs/dbraw/zinc/75/82/31/1073758231.db2.gz DAGGELHUQHUDCY-ROUUACIJSA-N 2 0 395.548 -0.548 20 0 GBADRP CC1[C@@H](C(=O)NCC[NH+]2CCCOCC2)[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000451005417 1073762185 /nfs/dbraw/zinc/76/21/85/1073762185.db2.gz PGKQOXMNYRUMKL-QZTJIDSGSA-N 2 0 396.532 -0.455 20 0 GBADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451138713 1073766672 /nfs/dbraw/zinc/76/66/72/1073766672.db2.gz BMTHBHWJLFDZGW-MUGJNUQGSA-N 2 0 382.549 -0.187 20 0 GBADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451138714 1073766592 /nfs/dbraw/zinc/76/65/92/1073766592.db2.gz BMTHBHWJLFDZGW-YRPNKDGESA-N 2 0 382.549 -0.187 20 0 GBADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451138715 1073766633 /nfs/dbraw/zinc/76/66/33/1073766633.db2.gz BMTHBHWJLFDZGW-ZRNYENFQSA-N 2 0 382.549 -0.187 20 0 GBADRP COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327551 1073772497 /nfs/dbraw/zinc/77/24/97/1073772497.db2.gz HFZNUDDVVJVMRL-APWZRJJASA-N 2 0 385.505 -0.029 20 0 GBADRP COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327552 1073772392 /nfs/dbraw/zinc/77/23/92/1073772392.db2.gz HFZNUDDVVJVMRL-LPHOPBHVSA-N 2 0 385.505 -0.029 20 0 GBADRP COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327553 1073771838 /nfs/dbraw/zinc/77/18/38/1073771838.db2.gz HFZNUDDVVJVMRL-QFBILLFUSA-N 2 0 385.505 -0.029 20 0 GBADRP COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000451327554 1073772208 /nfs/dbraw/zinc/77/22/08/1073772208.db2.gz HFZNUDDVVJVMRL-VQIMIIECSA-N 2 0 385.505 -0.029 20 0 GBADRP CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000451633270 1073777681 /nfs/dbraw/zinc/77/76/81/1073777681.db2.gz LVKBQBAKOXYDSA-BRSBDYLESA-N 2 0 396.532 -0.029 20 0 GBADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780841 1073811401 /nfs/dbraw/zinc/81/14/01/1073811401.db2.gz IEBVFKOGDNTXAC-MSOLQXFVSA-N 2 0 396.532 -0.337 20 0 GBADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780850 1073810969 /nfs/dbraw/zinc/81/09/69/1073810969.db2.gz IEBVFKOGDNTXAC-QZTJIDSGSA-N 2 0 396.532 -0.337 20 0 GBADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780851 1073811256 /nfs/dbraw/zinc/81/12/56/1073811256.db2.gz IEBVFKOGDNTXAC-ROUUACIJSA-N 2 0 396.532 -0.337 20 0 GBADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780852 1073810851 /nfs/dbraw/zinc/81/08/51/1073810851.db2.gz IEBVFKOGDNTXAC-ZWKOTPCHSA-N 2 0 396.532 -0.337 20 0 GBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000460273473 1073377739 /nfs/dbraw/zinc/37/77/39/1073377739.db2.gz JFFVGUSOYUCRQP-IBGZPJMESA-N 2 0 391.520 -0.255 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732676 530138647 /nfs/dbraw/zinc/13/86/47/530138647.db2.gz CLQGFFLOEWCXNE-HNNXBMFYSA-N 2 0 377.555 -0.065 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N(C)C ZINC000462732677 530138626 /nfs/dbraw/zinc/13/86/26/530138626.db2.gz CLQGFFLOEWCXNE-OAHLLOKOSA-N 2 0 377.555 -0.065 20 0 GBADRP CC[NH+]1CCN(CCC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000469709425 1073229122 /nfs/dbraw/zinc/22/91/22/1073229122.db2.gz KKDBLHHWQVHSQO-UHFFFAOYSA-N 2 0 379.509 -0.473 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000472273426 1072419211 /nfs/dbraw/zinc/41/92/11/1072419211.db2.gz BQQNMNZVZUCLID-HNNXBMFYSA-N 2 0 392.504 -0.134 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000472273427 1072419282 /nfs/dbraw/zinc/41/92/82/1072419282.db2.gz BQQNMNZVZUCLID-OAHLLOKOSA-N 2 0 392.504 -0.134 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000472277701 1072427000 /nfs/dbraw/zinc/42/70/00/1072427000.db2.gz NDFYHPVGEFFJSP-GOSISDBHSA-N 2 0 397.564 -0.349 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000472277704 1072427082 /nfs/dbraw/zinc/42/70/82/1072427082.db2.gz NDFYHPVGEFFJSP-SFHVURJKSA-N 2 0 397.564 -0.349 20 0 GBADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000472765984 1073161572 /nfs/dbraw/zinc/16/15/72/1073161572.db2.gz RJSJHXVUDUWLNJ-UHFFFAOYSA-N 2 0 381.565 -0.121 20 0 GBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913748 1073226670 /nfs/dbraw/zinc/22/66/70/1073226670.db2.gz KAONSDSKHBKQCF-DLBZAZTESA-N 2 0 382.553 -0.101 20 0 GBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000472913749 1073226552 /nfs/dbraw/zinc/22/65/52/1073226552.db2.gz KAONSDSKHBKQCF-IAGOWNOFSA-N 2 0 382.553 -0.101 20 0 GBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913750 1073226355 /nfs/dbraw/zinc/22/63/55/1073226355.db2.gz KAONSDSKHBKQCF-IRXDYDNUSA-N 2 0 382.553 -0.101 20 0 GBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000472913751 1073226734 /nfs/dbraw/zinc/22/67/34/1073226734.db2.gz KAONSDSKHBKQCF-SJORKVTESA-N 2 0 382.553 -0.101 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473032640 1073314346 /nfs/dbraw/zinc/31/43/46/1073314346.db2.gz GUWBYNVVRMQCSR-GOSISDBHSA-N 2 0 397.564 -0.445 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000473032641 1073314115 /nfs/dbraw/zinc/31/41/15/1073314115.db2.gz GUWBYNVVRMQCSR-SFHVURJKSA-N 2 0 397.564 -0.445 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000473250803 1073745378 /nfs/dbraw/zinc/74/53/78/1073745378.db2.gz QJFWVNSYKVZZFO-KRWDZBQOSA-N 2 0 377.489 -0.194 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000473250806 1073746133 /nfs/dbraw/zinc/74/61/33/1073746133.db2.gz QJFWVNSYKVZZFO-QGZVFWFLSA-N 2 0 377.489 -0.194 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000473414626 1073830776 /nfs/dbraw/zinc/83/07/76/1073830776.db2.gz TWTQTZYMGIHBOB-FQEVSTJZSA-N 2 0 389.500 -0.050 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000473414627 1073831015 /nfs/dbraw/zinc/83/10/15/1073831015.db2.gz TWTQTZYMGIHBOB-HXUWFJFHSA-N 2 0 389.500 -0.050 20 0 GBADRP CNC(=O)CN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000473894298 1073106086 /nfs/dbraw/zinc/10/60/86/1073106086.db2.gz FCAQADAZWARMNJ-UHFFFAOYSA-N 2 0 382.553 -0.088 20 0 GBADRP COCC[NH+]1CC[C@@H](NC(=O)C2(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)CCC2)C1 ZINC000474706152 1073339891 /nfs/dbraw/zinc/33/98/91/1073339891.db2.gz MPVRTHHFPWFJJI-CALCHBBNSA-N 2 0 396.532 -0.170 20 0 GBADRP COCC[NH+]1CC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CCC2)C1 ZINC000474706153 1073339972 /nfs/dbraw/zinc/33/99/72/1073339972.db2.gz MPVRTHHFPWFJJI-IAGOWNOFSA-N 2 0 396.532 -0.170 20 0 GBADRP COCC[NH+]1CC[C@H](NC(=O)C2(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)CCC2)C1 ZINC000474706154 1073340007 /nfs/dbraw/zinc/34/00/07/1073340007.db2.gz MPVRTHHFPWFJJI-IRXDYDNUSA-N 2 0 396.532 -0.170 20 0 GBADRP CCS(=O)(=O)NCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000477124457 530422425 /nfs/dbraw/zinc/42/24/25/530422425.db2.gz GPSFBSRRJYUIAJ-UHFFFAOYSA-N 2 0 384.568 -0.787 20 0 GBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000500229628 1073328049 /nfs/dbraw/zinc/32/80/49/1073328049.db2.gz HFPJGFNUCGWWSH-FZDBZEDMSA-N 2 0 396.532 -0.314 20 0 GBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)CC1)[C@H]1CCOC1 ZINC000500229629 1073327949 /nfs/dbraw/zinc/32/79/49/1073327949.db2.gz HFPJGFNUCGWWSH-MHORFTMASA-N 2 0 396.532 -0.314 20 0 GBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000500229630 1073328245 /nfs/dbraw/zinc/32/82/45/1073328245.db2.gz HFPJGFNUCGWWSH-USTZCAOPSA-N 2 0 396.532 -0.314 20 0 GBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1)[C@@H]1CCOC1 ZINC000500229631 1073328451 /nfs/dbraw/zinc/32/84/51/1073328451.db2.gz HFPJGFNUCGWWSH-XMTFNYHQSA-N 2 0 396.532 -0.314 20 0 GBADRP C[NH+]1CCC(Nc2nc(NC3CC[NH+](C)CC3)nc(N3CCOCC3)n2)CC1 ZINC000500289868 1073334792 /nfs/dbraw/zinc/33/47/92/1073334792.db2.gz BHTZXKXKRDWMOJ-UHFFFAOYSA-N 2 0 390.536 -0.436 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000500366872 530445920 /nfs/dbraw/zinc/44/59/20/530445920.db2.gz XNWYATTYRLVKKP-UHFFFAOYSA-N 2 0 384.568 -0.833 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000500443956 1073583915 /nfs/dbraw/zinc/58/39/15/1073583915.db2.gz RPGGBYUMCVCGMF-UHFFFAOYSA-N 2 0 379.505 -0.647 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500461322 1073702857 /nfs/dbraw/zinc/70/28/57/1073702857.db2.gz WUHSXQVVDADUFR-UHFFFAOYSA-N 2 0 381.521 -0.401 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500768309 1073772191 /nfs/dbraw/zinc/77/21/91/1073772191.db2.gz UBEUFUUVUAXLIC-HNNXBMFYSA-N 2 0 381.521 -0.354 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500768312 1073771947 /nfs/dbraw/zinc/77/19/47/1073771947.db2.gz UBEUFUUVUAXLIC-OAHLLOKOSA-N 2 0 381.521 -0.354 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC1 ZINC000500771293 1073772740 /nfs/dbraw/zinc/77/27/40/1073772740.db2.gz KEOZCVXHXUIOPE-HNNXBMFYSA-N 2 0 379.505 -0.648 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCC1 ZINC000500771301 1073772963 /nfs/dbraw/zinc/77/29/63/1073772963.db2.gz KEOZCVXHXUIOPE-OAHLLOKOSA-N 2 0 379.505 -0.648 20 0 GBADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000501032562 1072167566 /nfs/dbraw/zinc/16/75/66/1072167566.db2.gz ORJQNOKFJJXYNX-MSOLQXFVSA-N 2 0 388.578 -0.510 20 0 GBADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000501032566 1072167456 /nfs/dbraw/zinc/16/74/56/1072167456.db2.gz ORJQNOKFJJXYNX-QZTJIDSGSA-N 2 0 388.578 -0.510 20 0 GBADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000501032568 1072167381 /nfs/dbraw/zinc/16/73/81/1072167381.db2.gz ORJQNOKFJJXYNX-ROUUACIJSA-N 2 0 388.578 -0.510 20 0 GBADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000501032570 1072167491 /nfs/dbraw/zinc/16/74/91/1072167491.db2.gz ORJQNOKFJJXYNX-ZWKOTPCHSA-N 2 0 388.578 -0.510 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501600140 1072273051 /nfs/dbraw/zinc/27/30/51/1072273051.db2.gz TWKUNOMGCDWUHL-INIZCTEOSA-N 2 0 384.521 -0.360 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501600141 1072272685 /nfs/dbraw/zinc/27/26/85/1072272685.db2.gz TWKUNOMGCDWUHL-MRXNPFEDSA-N 2 0 384.521 -0.360 20 0 GBADRP C[C@@]1(O)CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@](C)(O)C3)CC2)C1 ZINC000501807120 1072284467 /nfs/dbraw/zinc/28/44/67/1072284467.db2.gz VQOGNRMWAVWECA-BGYRXZFFSA-N 2 0 396.532 -0.649 20 0 GBADRP C[C@]1(O)CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@](C)(O)C3)CC2)C1 ZINC000501807329 1072284567 /nfs/dbraw/zinc/28/45/67/1072284567.db2.gz VQOGNRMWAVWECA-PMACEKPBSA-N 2 0 396.532 -0.649 20 0 GBADRP C[C@@]1(O)CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@](C)(O)C3)CC2)C1 ZINC000501807330 1072283851 /nfs/dbraw/zinc/28/38/51/1072283851.db2.gz VQOGNRMWAVWECA-WOJBJXKFSA-N 2 0 396.532 -0.649 20 0 GBADRP Cn1ncc2c1ncn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2=O ZINC000502586000 1072328599 /nfs/dbraw/zinc/32/85/99/1072328599.db2.gz CRUSSWMHQIXDBC-UHFFFAOYSA-N 2 0 377.493 -0.138 20 0 GBADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000502953663 1072574389 /nfs/dbraw/zinc/57/43/89/1072574389.db2.gz SFBRECSVBNCSEN-KDURUIRLSA-N 2 0 395.504 -0.834 20 0 GBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000502953667 1072573892 /nfs/dbraw/zinc/57/38/92/1072573892.db2.gz SFBRECSVBNCSEN-OALUTQOASA-N 2 0 395.504 -0.834 20 0 GBADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000502953668 1072574006 /nfs/dbraw/zinc/57/40/06/1072574006.db2.gz SFBRECSVBNCSEN-RTBURBONSA-N 2 0 395.504 -0.834 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](C(=O)N(C)C)C1 ZINC000503695994 1072479993 /nfs/dbraw/zinc/47/99/93/1072479993.db2.gz CPMMDNQTJPTXSC-INIZCTEOSA-N 2 0 383.537 -0.202 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](C(=O)N(C)C)C1 ZINC000503696008 1072481129 /nfs/dbraw/zinc/48/11/29/1072481129.db2.gz CPMMDNQTJPTXSC-MRXNPFEDSA-N 2 0 383.537 -0.202 20 0 GBADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504597346 1072581298 /nfs/dbraw/zinc/58/12/98/1072581298.db2.gz IRSCITFRSMQYPD-IBGZPJMESA-N 2 0 393.488 -0.056 20 0 GBADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504597347 1072581501 /nfs/dbraw/zinc/58/15/01/1072581501.db2.gz IRSCITFRSMQYPD-LJQANCHMSA-N 2 0 393.488 -0.056 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000505744172 1072727617 /nfs/dbraw/zinc/72/76/17/1072727617.db2.gz OSPSOBGZBUIPAV-HNNXBMFYSA-N 2 0 379.509 -0.146 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000505744173 1072727327 /nfs/dbraw/zinc/72/73/27/1072727327.db2.gz OSPSOBGZBUIPAV-OAHLLOKOSA-N 2 0 379.509 -0.146 20 0 GBADRP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032859 1072806002 /nfs/dbraw/zinc/80/60/02/1072806002.db2.gz SLLOWPYFSJYKHA-FZDBZEDMSA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@H](O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000506032860 1072806099 /nfs/dbraw/zinc/80/60/99/1072806099.db2.gz SLLOWPYFSJYKHA-WNRNVDISSA-N 2 0 396.532 -0.937 20 0 GBADRP C[C@H](O)[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000506032861 1072806775 /nfs/dbraw/zinc/80/67/75/1072806775.db2.gz SLLOWPYFSJYKHA-XLAORIBOSA-N 2 0 396.532 -0.937 20 0 GBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506426999 1072919724 /nfs/dbraw/zinc/91/97/24/1072919724.db2.gz GOTKUSUDKRYVNP-UHFFFAOYSA-N 2 0 376.501 -0.104 20 0 GBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000506490789 1072931729 /nfs/dbraw/zinc/93/17/29/1072931729.db2.gz SVJXTRQVSHUSBB-IBGZPJMESA-N 2 0 393.536 -0.009 20 0 GBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000506490805 1072931658 /nfs/dbraw/zinc/93/16/58/1072931658.db2.gz SVJXTRQVSHUSBB-LJQANCHMSA-N 2 0 393.536 -0.009 20 0 GBADRP CCn1c(N)c(C(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507370744 1073058384 /nfs/dbraw/zinc/05/83/84/1073058384.db2.gz MQRNVDZCOUJZDO-UHFFFAOYSA-N 2 0 394.476 -0.877 20 0 GBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507424084 1073061248 /nfs/dbraw/zinc/06/12/48/1073061248.db2.gz NDVRPEKNDIPRTE-GDBMZVCRSA-N 2 0 381.521 -0.511 20 0 GBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507424092 1073061380 /nfs/dbraw/zinc/06/13/80/1073061380.db2.gz NDVRPEKNDIPRTE-GOEBONIOSA-N 2 0 381.521 -0.511 20 0 GBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507424097 1073061510 /nfs/dbraw/zinc/06/15/10/1073061510.db2.gz NDVRPEKNDIPRTE-HOCLYGCPSA-N 2 0 381.521 -0.511 20 0 GBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507424101 1073061209 /nfs/dbraw/zinc/06/12/09/1073061209.db2.gz NDVRPEKNDIPRTE-ZBFHGGJFSA-N 2 0 381.521 -0.511 20 0 GBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507427378 1073062065 /nfs/dbraw/zinc/06/20/65/1073062065.db2.gz XARPIISEOXWBKO-HNNXBMFYSA-N 2 0 381.521 -0.545 20 0 GBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507427381 1073062237 /nfs/dbraw/zinc/06/22/37/1073062237.db2.gz XARPIISEOXWBKO-OAHLLOKOSA-N 2 0 381.521 -0.545 20 0 GBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000507434570 1073062189 /nfs/dbraw/zinc/06/21/89/1073062189.db2.gz SFACYCJAXODMPU-UHFFFAOYSA-N 2 0 393.532 -0.543 20 0 GBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000507442998 1073064411 /nfs/dbraw/zinc/06/44/11/1073064411.db2.gz UQFIOGILDCTPAX-UHFFFAOYSA-N 2 0 381.521 -0.495 20 0 GBADRP O=C(CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000508644122 1073888232 /nfs/dbraw/zinc/88/82/32/1073888232.db2.gz TVYATKDCKMYCAN-GOSISDBHSA-N 2 0 376.501 -0.134 20 0 GBADRP O=C(CC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000508644126 1073887766 /nfs/dbraw/zinc/88/77/66/1073887766.db2.gz TVYATKDCKMYCAN-SFHVURJKSA-N 2 0 376.501 -0.134 20 0 GBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000509723893 1073777470 /nfs/dbraw/zinc/77/74/70/1073777470.db2.gz ZTCHHXUUFBMLTL-INIZCTEOSA-N 2 0 384.521 -0.217 20 0 GBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000509723894 1073777726 /nfs/dbraw/zinc/77/77/26/1073777726.db2.gz ZTCHHXUUFBMLTL-MRXNPFEDSA-N 2 0 384.521 -0.217 20 0 GBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)C2)CC1 ZINC000509724001 1073777601 /nfs/dbraw/zinc/77/76/01/1073777601.db2.gz IDJCUGBOQDENJT-KRWDZBQOSA-N 2 0 383.537 -0.691 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)C2)CC1 ZINC000509724002 1073777427 /nfs/dbraw/zinc/77/74/27/1073777427.db2.gz IDJCUGBOQDENJT-QGZVFWFLSA-N 2 0 383.537 -0.691 20 0 GBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000509739444 1073697057 /nfs/dbraw/zinc/69/70/57/1073697057.db2.gz UKIMZFBAXZZZSQ-KRWDZBQOSA-N 2 0 397.564 -0.302 20 0 GBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000509739445 1073697231 /nfs/dbraw/zinc/69/72/31/1073697231.db2.gz UKIMZFBAXZZZSQ-QGZVFWFLSA-N 2 0 397.564 -0.302 20 0 GBADRP CCS(=O)(=O)NCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000509934094 1073977024 /nfs/dbraw/zinc/97/70/24/1073977024.db2.gz IKDGKAAEHOOBRQ-UHFFFAOYSA-N 2 0 398.533 -0.168 20 0 GBADRP CO[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)C[N@@H+](C)[C@H]3C[C@@H](OC)C3)CC2)C1 ZINC000510126933 1072218635 /nfs/dbraw/zinc/21/86/35/1072218635.db2.gz IQZJFRBHVUKWFG-BALXVJCKSA-N 2 0 396.532 -0.124 20 0 GBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000510401570 1072572299 /nfs/dbraw/zinc/57/22/99/1072572299.db2.gz ZXCFRJMSPOSXLF-INIZCTEOSA-N 2 0 389.504 -0.875 20 0 GBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000510401575 1072572775 /nfs/dbraw/zinc/57/27/75/1072572775.db2.gz ZXCFRJMSPOSXLF-MRXNPFEDSA-N 2 0 389.504 -0.875 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000511430876 530458114 /nfs/dbraw/zinc/45/81/14/530458114.db2.gz UAXQUYOXNIHPLO-HNNXBMFYSA-N 2 0 378.539 -0.285 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000511430877 530457893 /nfs/dbraw/zinc/45/78/93/530457893.db2.gz UAXQUYOXNIHPLO-OAHLLOKOSA-N 2 0 378.539 -0.285 20 0 GBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCC[C@H]1O ZINC000511606391 1073298220 /nfs/dbraw/zinc/29/82/20/1073298220.db2.gz VIVAQIUOFLNGDT-BRSBDYLESA-N 2 0 396.532 -0.652 20 0 GBADRP CNS(=O)(=O)N1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000512321461 1073695218 /nfs/dbraw/zinc/69/52/18/1073695218.db2.gz HMLOBWMFYVXHDQ-UHFFFAOYSA-N 2 0 391.582 -0.105 20 0 GBADRP CCN1CCN(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C(=O)C1=O ZINC000512326578 1073695730 /nfs/dbraw/zinc/69/57/30/1073695730.db2.gz SYZHJOKGAHCFHT-INIZCTEOSA-N 2 0 381.521 -0.448 20 0 GBADRP CCN1CCN(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C(=O)C1=O ZINC000512326579 1073695298 /nfs/dbraw/zinc/69/52/98/1073695298.db2.gz SYZHJOKGAHCFHT-MRXNPFEDSA-N 2 0 381.521 -0.448 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000512362470 1073710500 /nfs/dbraw/zinc/71/05/00/1073710500.db2.gz KMAZXVQPXVJQLV-AWEZNQCLSA-N 2 0 386.522 -0.595 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000512362471 1073710360 /nfs/dbraw/zinc/71/03/60/1073710360.db2.gz KMAZXVQPXVJQLV-CQSZACIVSA-N 2 0 386.522 -0.595 20 0 GBADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211230 1073954477 /nfs/dbraw/zinc/95/44/77/1073954477.db2.gz WYIVYPDSKQLTEL-DLBZAZTESA-N 2 0 393.532 -0.305 20 0 GBADRP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211231 1073954732 /nfs/dbraw/zinc/95/47/32/1073954732.db2.gz WYIVYPDSKQLTEL-IAGOWNOFSA-N 2 0 393.532 -0.305 20 0 GBADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211232 1073954549 /nfs/dbraw/zinc/95/45/49/1073954549.db2.gz WYIVYPDSKQLTEL-IRXDYDNUSA-N 2 0 393.532 -0.305 20 0 GBADRP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCCN1CCCC1=O ZINC000513211233 1073954688 /nfs/dbraw/zinc/95/46/88/1073954688.db2.gz WYIVYPDSKQLTEL-SJORKVTESA-N 2 0 393.532 -0.305 20 0 GBADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513223570 1073954774 /nfs/dbraw/zinc/95/47/74/1073954774.db2.gz WCXLKVQEVWLXAS-CVEARBPZSA-N 2 0 390.550 -0.478 20 0 GBADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513223571 1073954371 /nfs/dbraw/zinc/95/43/71/1073954371.db2.gz WCXLKVQEVWLXAS-HOTGVXAUSA-N 2 0 390.550 -0.478 20 0 GBADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513223572 1073954351 /nfs/dbraw/zinc/95/43/51/1073954351.db2.gz WCXLKVQEVWLXAS-HZPDHXFCSA-N 2 0 390.550 -0.478 20 0 GBADRP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513223573 1073954449 /nfs/dbraw/zinc/95/44/49/1073954449.db2.gz WCXLKVQEVWLXAS-JKSUJKDBSA-N 2 0 390.550 -0.478 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463022 1073971375 /nfs/dbraw/zinc/97/13/75/1073971375.db2.gz IJMOGONJUOSISE-INIZCTEOSA-N 2 0 395.548 -0.155 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463025 1073971409 /nfs/dbraw/zinc/97/14/09/1073971409.db2.gz IJMOGONJUOSISE-MRXNPFEDSA-N 2 0 395.548 -0.155 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468066 1073972682 /nfs/dbraw/zinc/97/26/82/1073972682.db2.gz DIGGFQPHQWPUBR-CVEARBPZSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468067 1073972844 /nfs/dbraw/zinc/97/28/44/1073972844.db2.gz DIGGFQPHQWPUBR-HOTGVXAUSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468068 1073972794 /nfs/dbraw/zinc/97/27/94/1073972794.db2.gz DIGGFQPHQWPUBR-HZPDHXFCSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)(C)C[NH+](C)C ZINC000513468069 1073972369 /nfs/dbraw/zinc/97/23/69/1073972369.db2.gz DIGGFQPHQWPUBR-JKSUJKDBSA-N 2 0 395.548 -0.156 20 0 GBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514622501 1072664068 /nfs/dbraw/zinc/66/40/68/1072664068.db2.gz NFHNSKDKRUUBPE-DOTOQJQBSA-N 2 0 395.548 -0.121 20 0 GBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514622503 1072664038 /nfs/dbraw/zinc/66/40/38/1072664038.db2.gz NFHNSKDKRUUBPE-NVXWUHKLSA-N 2 0 395.548 -0.121 20 0 GBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000514622504 1072664094 /nfs/dbraw/zinc/66/40/94/1072664094.db2.gz NFHNSKDKRUUBPE-RDJZCZTQSA-N 2 0 395.548 -0.121 20 0 GBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000514622505 1072663958 /nfs/dbraw/zinc/66/39/58/1072663958.db2.gz NFHNSKDKRUUBPE-WBVHZDCISA-N 2 0 395.548 -0.121 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000514664614 1072667828 /nfs/dbraw/zinc/66/78/28/1072667828.db2.gz LEXVOEDJXYLWPR-JFIYKMOQSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000514664619 1072667610 /nfs/dbraw/zinc/66/76/10/1072667610.db2.gz LEXVOEDJXYLWPR-NUJGCVRESA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000514664622 1072667942 /nfs/dbraw/zinc/66/79/42/1072667942.db2.gz LEXVOEDJXYLWPR-RYRKJORJSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000514664625 1072668108 /nfs/dbraw/zinc/66/81/08/1072668108.db2.gz LEXVOEDJXYLWPR-SOLBZPMBSA-N 2 0 377.533 -0.176 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cn1 ZINC000514674567 1072668562 /nfs/dbraw/zinc/66/85/62/1072668562.db2.gz DASPZKGRYVDULC-UHFFFAOYSA-N 2 0 388.476 -0.525 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC000514720779 1072672559 /nfs/dbraw/zinc/67/25/59/1072672559.db2.gz DAJIHQIGXWOSIK-UHFFFAOYSA-N 2 0 389.504 -0.546 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000514816909 1072684281 /nfs/dbraw/zinc/68/42/81/1072684281.db2.gz QJWGBGMXCHDIBJ-DOTOQJQBSA-N 2 0 393.532 -0.402 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000514816910 1072684250 /nfs/dbraw/zinc/68/42/50/1072684250.db2.gz QJWGBGMXCHDIBJ-NVXWUHKLSA-N 2 0 393.532 -0.402 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000514816911 1072684642 /nfs/dbraw/zinc/68/46/42/1072684642.db2.gz QJWGBGMXCHDIBJ-RDJZCZTQSA-N 2 0 393.532 -0.402 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000514816912 1072684540 /nfs/dbraw/zinc/68/45/40/1072684540.db2.gz QJWGBGMXCHDIBJ-WBVHZDCISA-N 2 0 393.532 -0.402 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000514844190 1072685503 /nfs/dbraw/zinc/68/55/03/1072685503.db2.gz YGGUUFCBSJEZRQ-UHFFFAOYSA-N 2 0 393.532 -0.304 20 0 GBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850156 1072687793 /nfs/dbraw/zinc/68/77/93/1072687793.db2.gz HVZLSVITWPOLMZ-MSOLQXFVSA-N 2 0 382.553 -0.674 20 0 GBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850157 1072687753 /nfs/dbraw/zinc/68/77/53/1072687753.db2.gz HVZLSVITWPOLMZ-QZTJIDSGSA-N 2 0 382.553 -0.674 20 0 GBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850158 1072687734 /nfs/dbraw/zinc/68/77/34/1072687734.db2.gz HVZLSVITWPOLMZ-ROUUACIJSA-N 2 0 382.553 -0.674 20 0 GBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C1 ZINC000514850159 1072687661 /nfs/dbraw/zinc/68/76/61/1072687661.db2.gz HVZLSVITWPOLMZ-ZWKOTPCHSA-N 2 0 382.553 -0.674 20 0 GBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000514855054 1072688962 /nfs/dbraw/zinc/68/89/62/1072688962.db2.gz MGEDBUNQTRGEFE-JFIYKMOQSA-N 2 0 395.548 -0.565 20 0 GBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000514855157 1072689068 /nfs/dbraw/zinc/68/90/68/1072689068.db2.gz MGEDBUNQTRGEFE-JZXOWHBKSA-N 2 0 395.548 -0.565 20 0 GBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000514855158 1072688844 /nfs/dbraw/zinc/68/88/44/1072688844.db2.gz MGEDBUNQTRGEFE-NUJGCVRESA-N 2 0 395.548 -0.565 20 0 GBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000514855159 1072688980 /nfs/dbraw/zinc/68/89/80/1072688980.db2.gz MGEDBUNQTRGEFE-SOLBZPMBSA-N 2 0 395.548 -0.565 20 0 GBADRP O=C(CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)N1CC[NH2+]CC1 ZINC000514925598 1072694180 /nfs/dbraw/zinc/69/41/80/1072694180.db2.gz ILRUTEOFLVZPKA-UHFFFAOYSA-N 2 0 397.545 -0.988 20 0 GBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000514925679 1072693188 /nfs/dbraw/zinc/69/31/88/1072693188.db2.gz RLOUQAQMJPUXGB-DOTOQJQBSA-N 2 0 387.484 -0.686 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000514925680 1072692932 /nfs/dbraw/zinc/69/29/32/1072692932.db2.gz RLOUQAQMJPUXGB-NVXWUHKLSA-N 2 0 387.484 -0.686 20 0 GBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000514925682 1072693117 /nfs/dbraw/zinc/69/31/17/1072693117.db2.gz RLOUQAQMJPUXGB-RDJZCZTQSA-N 2 0 387.484 -0.686 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000514925756 1072693891 /nfs/dbraw/zinc/69/38/91/1072693891.db2.gz RLOUQAQMJPUXGB-WBVHZDCISA-N 2 0 387.484 -0.686 20 0 GBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000514925938 1072693988 /nfs/dbraw/zinc/69/39/88/1072693988.db2.gz HASIDJUYIHDHCU-UHFFFAOYSA-N 2 0 377.489 -0.143 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000514971018 1072696036 /nfs/dbraw/zinc/69/60/36/1072696036.db2.gz RZHWFEKNMLTOIZ-CGTJXYLNSA-N 2 0 377.533 -0.176 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)CC1 ZINC000514971019 1072695605 /nfs/dbraw/zinc/69/56/05/1072695605.db2.gz RZHWFEKNMLTOIZ-JQHSSLGASA-N 2 0 377.533 -0.176 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000514971020 1072695493 /nfs/dbraw/zinc/69/54/93/1072695493.db2.gz RZHWFEKNMLTOIZ-KBAYOESNSA-N 2 0 377.533 -0.176 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)CC1 ZINC000514971021 1072695751 /nfs/dbraw/zinc/69/57/51/1072695751.db2.gz RZHWFEKNMLTOIZ-NXHRZFHOSA-N 2 0 377.533 -0.176 20 0 GBADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000515074098 1072701385 /nfs/dbraw/zinc/70/13/85/1072701385.db2.gz NOHJYRAWCMUPDN-BZUAXINKSA-N 2 0 393.532 -0.226 20 0 GBADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000515074101 1072701145 /nfs/dbraw/zinc/70/11/45/1072701145.db2.gz NOHJYRAWCMUPDN-OAGGEKHMSA-N 2 0 393.532 -0.226 20 0 GBADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000515074102 1072701344 /nfs/dbraw/zinc/70/13/44/1072701344.db2.gz NOHJYRAWCMUPDN-OWCLPIDISA-N 2 0 393.532 -0.226 20 0 GBADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000515074103 1072701642 /nfs/dbraw/zinc/70/16/42/1072701642.db2.gz NOHJYRAWCMUPDN-PMPSAXMXSA-N 2 0 393.532 -0.226 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000515214402 1072715574 /nfs/dbraw/zinc/71/55/74/1072715574.db2.gz KYVDVOXRIIXJLO-GOSISDBHSA-N 3 0 397.564 -0.491 20 0 GBADRP CN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515406388 1072723168 /nfs/dbraw/zinc/72/31/68/1072723168.db2.gz SZZHCKLDBKVLTL-KRWDZBQOSA-N 2 0 387.484 -0.733 20 0 GBADRP CN(C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515406389 1072723382 /nfs/dbraw/zinc/72/33/82/1072723382.db2.gz SZZHCKLDBKVLTL-QGZVFWFLSA-N 2 0 387.484 -0.733 20 0 GBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000515501094 1072726290 /nfs/dbraw/zinc/72/62/90/1072726290.db2.gz VEVOJMZFEISQOY-DLBZAZTESA-N 2 0 387.484 -0.823 20 0 GBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515501099 1072726408 /nfs/dbraw/zinc/72/64/08/1072726408.db2.gz VEVOJMZFEISQOY-IAGOWNOFSA-N 2 0 387.484 -0.823 20 0 GBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515501100 1072726781 /nfs/dbraw/zinc/72/67/81/1072726781.db2.gz VEVOJMZFEISQOY-IRXDYDNUSA-N 2 0 387.484 -0.823 20 0 GBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515501101 1072726398 /nfs/dbraw/zinc/72/63/98/1072726398.db2.gz VEVOJMZFEISQOY-SJORKVTESA-N 2 0 387.484 -0.823 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000515573800 1072730865 /nfs/dbraw/zinc/73/08/65/1072730865.db2.gz CTGYGCPXZSXRIP-UHFFFAOYSA-N 2 0 385.490 -0.776 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000515634637 1072733911 /nfs/dbraw/zinc/73/39/11/1072733911.db2.gz WMNPFGQQTYFZBG-OWCLPIDISA-N 2 0 377.489 -0.896 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000515634638 1072733411 /nfs/dbraw/zinc/73/34/11/1072733411.db2.gz WMNPFGQQTYFZBG-XHSDSOJGSA-N 2 0 377.489 -0.896 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000515794730 1072740221 /nfs/dbraw/zinc/74/02/21/1072740221.db2.gz UHTAWYQNVYAQMF-UHFFFAOYSA-N 2 0 392.504 -0.202 20 0 GBADRP CC(=O)NCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000516061103 1072753032 /nfs/dbraw/zinc/75/30/32/1072753032.db2.gz VMGQDFSFNCUZTL-UHFFFAOYSA-N 2 0 390.488 -0.696 20 0 GBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000516189105 1072760725 /nfs/dbraw/zinc/76/07/25/1072760725.db2.gz IOIVSMBYRMFIFT-UHFFFAOYSA-N 2 0 396.532 -0.025 20 0 GBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000516263391 1072763623 /nfs/dbraw/zinc/76/36/23/1072763623.db2.gz HHQCERKFHRIQKZ-KRWDZBQOSA-N 2 0 393.532 -0.495 20 0 GBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000516263392 1072763170 /nfs/dbraw/zinc/76/31/70/1072763170.db2.gz HHQCERKFHRIQKZ-QGZVFWFLSA-N 2 0 393.532 -0.495 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000516314795 1072765407 /nfs/dbraw/zinc/76/54/07/1072765407.db2.gz COGQLNGNQHCIBI-CVEARBPZSA-N 2 0 387.488 -0.713 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000516314797 1072765987 /nfs/dbraw/zinc/76/59/87/1072765987.db2.gz COGQLNGNQHCIBI-HOTGVXAUSA-N 2 0 387.488 -0.713 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000516314798 1072765523 /nfs/dbraw/zinc/76/55/23/1072765523.db2.gz COGQLNGNQHCIBI-HZPDHXFCSA-N 2 0 387.488 -0.713 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000516314799 1072765735 /nfs/dbraw/zinc/76/57/35/1072765735.db2.gz COGQLNGNQHCIBI-JKSUJKDBSA-N 2 0 387.488 -0.713 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000516315227 1072765918 /nfs/dbraw/zinc/76/59/18/1072765918.db2.gz JUYXJMGVPDVVAR-BZUAXINKSA-N 2 0 379.505 -0.759 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000516315235 1072765664 /nfs/dbraw/zinc/76/56/64/1072765664.db2.gz JUYXJMGVPDVVAR-OAGGEKHMSA-N 2 0 379.505 -0.759 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000516315237 1072765566 /nfs/dbraw/zinc/76/55/66/1072765566.db2.gz JUYXJMGVPDVVAR-OWCLPIDISA-N 2 0 379.505 -0.759 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000516315240 1072766068 /nfs/dbraw/zinc/76/60/68/1072766068.db2.gz JUYXJMGVPDVVAR-PMPSAXMXSA-N 2 0 379.505 -0.759 20 0 GBADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000516492722 1072771898 /nfs/dbraw/zinc/77/18/98/1072771898.db2.gz TUUZOCIPMWEVHK-INIZCTEOSA-N 2 0 381.521 -0.449 20 0 GBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000516635208 1072788839 /nfs/dbraw/zinc/78/88/39/1072788839.db2.gz RZZRONZWZNWJSJ-AWEZNQCLSA-N 2 0 379.461 -0.673 20 0 GBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000516635209 1072788706 /nfs/dbraw/zinc/78/87/06/1072788706.db2.gz RZZRONZWZNWJSJ-CQSZACIVSA-N 2 0 379.461 -0.673 20 0 GBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000516637326 1072786762 /nfs/dbraw/zinc/78/67/62/1072786762.db2.gz IZIFDWXFPSALJQ-INIZCTEOSA-N 2 0 395.548 -0.155 20 0 GBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000516637327 1072786710 /nfs/dbraw/zinc/78/67/10/1072786710.db2.gz IZIFDWXFPSALJQ-MRXNPFEDSA-N 2 0 395.548 -0.155 20 0 GBADRP CC[NH+](CC)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000516652065 1072789506 /nfs/dbraw/zinc/78/95/06/1072789506.db2.gz QPHLWNDLJUYWOG-CABCVRRESA-N 2 0 388.534 -0.788 20 0 GBADRP CC[NH+](CC)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000516652066 1072789561 /nfs/dbraw/zinc/78/95/61/1072789561.db2.gz QPHLWNDLJUYWOG-GJZGRUSLSA-N 2 0 388.534 -0.788 20 0 GBADRP CC[NH+](CC)CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000516652067 1072789361 /nfs/dbraw/zinc/78/93/61/1072789361.db2.gz QPHLWNDLJUYWOG-HUUCEWRRSA-N 2 0 388.534 -0.788 20 0 GBADRP CC[NH+](CC)CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000516652068 1072790239 /nfs/dbraw/zinc/79/02/39/1072790239.db2.gz QPHLWNDLJUYWOG-LSDHHAIUSA-N 2 0 388.534 -0.788 20 0 GBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516664542 1072792293 /nfs/dbraw/zinc/79/22/93/1072792293.db2.gz JSSCKTOHNYCROY-BBWFWOEESA-N 2 0 387.484 -0.954 20 0 GBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516664544 1072792069 /nfs/dbraw/zinc/79/20/69/1072792069.db2.gz JSSCKTOHNYCROY-GVDBMIGSSA-N 2 0 387.484 -0.954 20 0 GBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516664545 1072792175 /nfs/dbraw/zinc/79/21/75/1072792175.db2.gz JSSCKTOHNYCROY-ULQDDVLXSA-N 2 0 387.484 -0.954 20 0 GBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516664546 1072792198 /nfs/dbraw/zinc/79/21/98/1072792198.db2.gz JSSCKTOHNYCROY-YESZJQIVSA-N 2 0 387.484 -0.954 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671524 1072791117 /nfs/dbraw/zinc/79/11/17/1072791117.db2.gz VQPDGIHAVILWBD-BZUAXINKSA-N 2 0 379.505 -0.757 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC000516671527 1072790937 /nfs/dbraw/zinc/79/09/37/1072790937.db2.gz VQPDGIHAVILWBD-OAGGEKHMSA-N 2 0 379.505 -0.757 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000516671528 1072791270 /nfs/dbraw/zinc/79/12/70/1072791270.db2.gz VQPDGIHAVILWBD-OWCLPIDISA-N 2 0 379.505 -0.757 20 0 GBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)[C@H]2C1 ZINC000516671529 1072791363 /nfs/dbraw/zinc/79/13/63/1072791363.db2.gz VQPDGIHAVILWBD-PMPSAXMXSA-N 2 0 379.505 -0.757 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000516787376 1072804612 /nfs/dbraw/zinc/80/46/12/1072804612.db2.gz UHIGUUZNPFLBFY-PBHICJAKSA-N 2 0 393.532 -0.308 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000516787377 1072804548 /nfs/dbraw/zinc/80/45/48/1072804548.db2.gz UHIGUUZNPFLBFY-RHSMWYFYSA-N 2 0 393.532 -0.308 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000516787378 1072804489 /nfs/dbraw/zinc/80/44/89/1072804489.db2.gz UHIGUUZNPFLBFY-WMLDXEAASA-N 2 0 393.532 -0.308 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000516787379 1072804884 /nfs/dbraw/zinc/80/48/84/1072804884.db2.gz UHIGUUZNPFLBFY-YOEHRIQHSA-N 2 0 393.532 -0.308 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000516921657 1072817560 /nfs/dbraw/zinc/81/75/60/1072817560.db2.gz DDNHSBWLOTVTDA-IBGZPJMESA-N 2 0 375.517 -0.467 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000516921658 1072818912 /nfs/dbraw/zinc/81/89/12/1072818912.db2.gz DDNHSBWLOTVTDA-LJQANCHMSA-N 2 0 375.517 -0.467 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000517083637 1072831500 /nfs/dbraw/zinc/83/15/00/1072831500.db2.gz NCQOAOOOLOSCEX-UHFFFAOYSA-N 2 0 383.537 -0.345 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000517083714 1072831828 /nfs/dbraw/zinc/83/18/28/1072831828.db2.gz ZUIMAOZNDYIUNF-UHFFFAOYSA-N 2 0 394.495 -0.179 20 0 GBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000517192708 1072845374 /nfs/dbraw/zinc/84/53/74/1072845374.db2.gz UBFBXOWZKWFACB-IAGOWNOFSA-N 2 0 382.505 -0.606 20 0 GBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000517192709 1072845437 /nfs/dbraw/zinc/84/54/37/1072845437.db2.gz UBFBXOWZKWFACB-SJORKVTESA-N 2 0 382.505 -0.606 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000517231338 1072854528 /nfs/dbraw/zinc/85/45/28/1072854528.db2.gz AVAVNFNNQCKPBG-MSOLQXFVSA-N 2 0 376.501 -0.136 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000517231339 1072853751 /nfs/dbraw/zinc/85/37/51/1072853751.db2.gz AVAVNFNNQCKPBG-QZTJIDSGSA-N 2 0 376.501 -0.136 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000517231340 1072853842 /nfs/dbraw/zinc/85/38/42/1072853842.db2.gz AVAVNFNNQCKPBG-ROUUACIJSA-N 2 0 376.501 -0.136 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000517231341 1072854002 /nfs/dbraw/zinc/85/40/02/1072854002.db2.gz AVAVNFNNQCKPBG-ZWKOTPCHSA-N 2 0 376.501 -0.136 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517342718 1072860791 /nfs/dbraw/zinc/86/07/91/1072860791.db2.gz OHCQFHCMGXUVAG-GVDBMIGSSA-N 2 0 391.516 -0.743 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517342719 1072860161 /nfs/dbraw/zinc/86/01/61/1072860161.db2.gz OHCQFHCMGXUVAG-IXDOHACOSA-N 2 0 391.516 -0.743 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517342720 1072860657 /nfs/dbraw/zinc/86/06/57/1072860657.db2.gz OHCQFHCMGXUVAG-YESZJQIVSA-N 2 0 391.516 -0.743 20 0 GBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517409805 1072863718 /nfs/dbraw/zinc/86/37/18/1072863718.db2.gz DSXJQELKJACNER-INIZCTEOSA-N 2 0 394.520 -0.724 20 0 GBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000517409806 1072863926 /nfs/dbraw/zinc/86/39/26/1072863926.db2.gz DSXJQELKJACNER-MRXNPFEDSA-N 2 0 394.520 -0.724 20 0 GBADRP CN1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000517516473 1072866576 /nfs/dbraw/zinc/86/65/76/1072866576.db2.gz NFFQXAZQXMJPHM-KRWDZBQOSA-N 2 0 393.532 -0.448 20 0 GBADRP CN1CCN(C(=O)CC2CCN([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000517516474 1072867105 /nfs/dbraw/zinc/86/71/05/1072867105.db2.gz NFFQXAZQXMJPHM-QGZVFWFLSA-N 2 0 393.532 -0.448 20 0 GBADRP O=C(CNC(=O)N1CCN(CCCOCC(F)(F)F)CC1)N1CC[NH2+]CC1 ZINC000517539679 1072868076 /nfs/dbraw/zinc/86/80/76/1072868076.db2.gz UMCJTAYBKCDUCA-UHFFFAOYSA-N 2 0 395.426 -0.286 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000517552514 1072868892 /nfs/dbraw/zinc/86/88/92/1072868892.db2.gz TWQGUTQCLSMPSM-UHFFFAOYSA-N 2 0 386.537 -0.378 20 0 GBADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517553617 1072868515 /nfs/dbraw/zinc/86/85/15/1072868515.db2.gz DDLYARQIAMRGRO-DLBZAZTESA-N 2 0 391.516 -0.647 20 0 GBADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517553621 1072868711 /nfs/dbraw/zinc/86/87/11/1072868711.db2.gz DDLYARQIAMRGRO-IAGOWNOFSA-N 2 0 391.516 -0.647 20 0 GBADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517553624 1072868463 /nfs/dbraw/zinc/86/84/63/1072868463.db2.gz DDLYARQIAMRGRO-IRXDYDNUSA-N 2 0 391.516 -0.647 20 0 GBADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517553626 1072868967 /nfs/dbraw/zinc/86/89/67/1072868967.db2.gz DDLYARQIAMRGRO-SJORKVTESA-N 2 0 391.516 -0.647 20 0 GBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000517565529 1072872054 /nfs/dbraw/zinc/87/20/54/1072872054.db2.gz HLTSXXOTWRJCQX-UHFFFAOYSA-N 2 0 386.522 -0.886 20 0 GBADRP CN1CCC(CNC(=O)C(=O)NCCOCC[NH+](C)C)([NH+]2CCCCC2)CC1 ZINC000517612457 1072873554 /nfs/dbraw/zinc/87/35/54/1072873554.db2.gz JMEJIZHPGOMJPX-UHFFFAOYSA-N 2 0 397.564 -0.253 20 0 GBADRP O=C(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000517714005 1072883131 /nfs/dbraw/zinc/88/31/31/1072883131.db2.gz GKIQHEWHWSPKRW-UHFFFAOYSA-N 2 0 387.484 -0.189 20 0 GBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000517751049 1072884040 /nfs/dbraw/zinc/88/40/40/1072884040.db2.gz CYLKNTOOZANFFN-GOSISDBHSA-N 2 0 388.516 -0.224 20 0 GBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000517751050 1072883633 /nfs/dbraw/zinc/88/36/33/1072883633.db2.gz CYLKNTOOZANFFN-SFHVURJKSA-N 2 0 388.516 -0.224 20 0 GBADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000518140792 1072913151 /nfs/dbraw/zinc/91/31/51/1072913151.db2.gz ZDXPRANLGLXMMU-UHFFFAOYSA-N 2 0 385.534 -0.368 20 0 GBADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000518218425 1072919328 /nfs/dbraw/zinc/91/93/28/1072919328.db2.gz JRJKZTCGSRCYAJ-INIZCTEOSA-N 2 0 375.473 -0.271 20 0 GBADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)NCC[NH+](C)C ZINC000518561495 1072940123 /nfs/dbraw/zinc/94/01/23/1072940123.db2.gz MHFWIUSZVQQBFA-INIZCTEOSA-N 2 0 376.505 -0.224 20 0 GBADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(=O)NCC[NH+](C)C ZINC000518561496 1072939838 /nfs/dbraw/zinc/93/98/38/1072939838.db2.gz MHFWIUSZVQQBFA-MRXNPFEDSA-N 2 0 376.505 -0.224 20 0 GBADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000518594541 1072233267 /nfs/dbraw/zinc/23/32/67/1072233267.db2.gz LTJSYAXWUQCVGB-KRWDZBQOSA-N 2 0 377.489 -0.589 20 0 GBADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000518594542 1072941471 /nfs/dbraw/zinc/94/14/71/1072941471.db2.gz LTJSYAXWUQCVGB-QGZVFWFLSA-N 2 0 377.489 -0.589 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000518735578 1072953903 /nfs/dbraw/zinc/95/39/03/1072953903.db2.gz LCGSOJPLZBPRQJ-UHFFFAOYSA-N 2 0 380.537 -0.382 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000518742416 1072952880 /nfs/dbraw/zinc/95/28/80/1072952880.db2.gz VLXBSKILTPVWHQ-CVEARBPZSA-N 2 0 379.505 -0.613 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000518742417 1072953058 /nfs/dbraw/zinc/95/30/58/1072953058.db2.gz VLXBSKILTPVWHQ-HOTGVXAUSA-N 2 0 379.505 -0.613 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000518742418 1072953011 /nfs/dbraw/zinc/95/30/11/1072953011.db2.gz VLXBSKILTPVWHQ-HZPDHXFCSA-N 2 0 379.505 -0.613 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000518742419 1072953112 /nfs/dbraw/zinc/95/31/12/1072953112.db2.gz VLXBSKILTPVWHQ-JKSUJKDBSA-N 2 0 379.505 -0.613 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000518829915 1072960898 /nfs/dbraw/zinc/96/08/98/1072960898.db2.gz HEUAJUJCDFNKGI-UHFFFAOYSA-N 2 0 383.537 -0.251 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000518960605 1072969403 /nfs/dbraw/zinc/96/94/03/1072969403.db2.gz IWVHFIWIFLMWAC-JXFKEZNVSA-N 2 0 391.516 -0.647 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000518960608 1072969071 /nfs/dbraw/zinc/96/90/71/1072969071.db2.gz IWVHFIWIFLMWAC-OXJNMPFZSA-N 2 0 391.516 -0.647 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000518960609 1072969012 /nfs/dbraw/zinc/96/90/12/1072969012.db2.gz IWVHFIWIFLMWAC-OXQOHEQNSA-N 2 0 391.516 -0.647 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000518960610 1072969370 /nfs/dbraw/zinc/96/93/70/1072969370.db2.gz IWVHFIWIFLMWAC-UZLBHIALSA-N 2 0 391.516 -0.647 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000519109336 1072981043 /nfs/dbraw/zinc/98/10/43/1072981043.db2.gz MFAKSHCBQCTUAL-UHFFFAOYSA-N 2 0 383.474 -0.670 20 0 GBADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000519121193 1072981668 /nfs/dbraw/zinc/98/16/68/1072981668.db2.gz CILYFTSCIOBXPL-UHFFFAOYSA-N 2 0 389.500 -0.307 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000519321311 1072992508 /nfs/dbraw/zinc/99/25/08/1072992508.db2.gz JZDSOFWUUBWJJV-KRWDZBQOSA-N 2 0 382.553 -0.182 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000519321312 1072992768 /nfs/dbraw/zinc/99/27/68/1072992768.db2.gz JZDSOFWUUBWJJV-QGZVFWFLSA-N 2 0 382.553 -0.182 20 0 GBADRP CN1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000519358917 1072994826 /nfs/dbraw/zinc/99/48/26/1072994826.db2.gz QUXGYABVDNDJLT-KRWDZBQOSA-N 2 0 376.505 -0.238 20 0 GBADRP CN1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000519358918 1072994731 /nfs/dbraw/zinc/99/47/31/1072994731.db2.gz QUXGYABVDNDJLT-QGZVFWFLSA-N 2 0 376.505 -0.238 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000519369860 1072995062 /nfs/dbraw/zinc/99/50/62/1072995062.db2.gz FBAVBCPTUNXETG-UHFFFAOYSA-N 2 0 379.461 -0.567 20 0 GBADRP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000519381445 1072996778 /nfs/dbraw/zinc/99/67/78/1072996778.db2.gz JGHILVDLEOFSQP-GOSISDBHSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000519381446 1072996593 /nfs/dbraw/zinc/99/65/93/1072996593.db2.gz JGHILVDLEOFSQP-SFHVURJKSA-N 2 0 377.533 -0.031 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000519477041 1073008243 /nfs/dbraw/zinc/00/82/43/1073008243.db2.gz JILNVELDLILNQG-INIZCTEOSA-N 2 0 391.516 -0.480 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000519477042 1073008200 /nfs/dbraw/zinc/00/82/00/1073008200.db2.gz JILNVELDLILNQG-MRXNPFEDSA-N 2 0 391.516 -0.480 20 0 GBADRP CCC[NH+]1CCC(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC000519530189 1073014174 /nfs/dbraw/zinc/01/41/74/1073014174.db2.gz YYRIBPXPBOUAHC-UHFFFAOYSA-N 2 0 387.550 -0.263 20 0 GBADRP O=C(CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000519591205 1073048507 /nfs/dbraw/zinc/04/85/07/1073048507.db2.gz OQEAJWXTDFHWNR-UHFFFAOYSA-N 2 0 393.532 -0.351 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592471 1073049901 /nfs/dbraw/zinc/04/99/01/1073049901.db2.gz UURABJBXNHCANP-JFIYKMOQSA-N 2 0 379.549 -0.025 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000519592473 1073049414 /nfs/dbraw/zinc/04/94/14/1073049414.db2.gz UURABJBXNHCANP-NUJGCVRESA-N 2 0 379.549 -0.025 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592477 1073049349 /nfs/dbraw/zinc/04/93/49/1073049349.db2.gz UURABJBXNHCANP-RYRKJORJSA-N 2 0 379.549 -0.025 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000519592483 1073049504 /nfs/dbraw/zinc/04/95/04/1073049504.db2.gz UURABJBXNHCANP-SOLBZPMBSA-N 2 0 379.549 -0.025 20 0 GBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CC(C)C ZINC000519650985 1073082873 /nfs/dbraw/zinc/08/28/73/1073082873.db2.gz PGCOIBKFWAWAAZ-ARFHVFGLSA-N 2 0 381.521 -0.371 20 0 GBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CC(C)C ZINC000519651005 1073082935 /nfs/dbraw/zinc/08/29/35/1073082935.db2.gz PGCOIBKFWAWAAZ-HRCADAONSA-N 2 0 381.521 -0.371 20 0 GBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CC(C)C ZINC000519651009 1073083168 /nfs/dbraw/zinc/08/31/68/1073083168.db2.gz PGCOIBKFWAWAAZ-JYJNAYRXSA-N 2 0 381.521 -0.371 20 0 GBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CC(C)C ZINC000519651014 1073082978 /nfs/dbraw/zinc/08/29/78/1073082978.db2.gz PGCOIBKFWAWAAZ-XHSDSOJGSA-N 2 0 381.521 -0.371 20 0 GBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000519813697 1073090357 /nfs/dbraw/zinc/09/03/57/1073090357.db2.gz MHUXBGRJEPZZJU-KRWDZBQOSA-N 2 0 389.500 -0.266 20 0 GBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000519813709 1073090886 /nfs/dbraw/zinc/09/08/86/1073090886.db2.gz MHUXBGRJEPZZJU-QGZVFWFLSA-N 2 0 389.500 -0.266 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000520187252 1073108827 /nfs/dbraw/zinc/10/88/27/1073108827.db2.gz TVTUXCILBGVSDR-UHFFFAOYSA-N 2 0 377.493 -0.923 20 0 GBADRP O=C(CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1)N1CC[NH2+]CC1 ZINC000520205239 1073108681 /nfs/dbraw/zinc/10/86/81/1073108681.db2.gz KMLSUISXDWTCGO-UHFFFAOYSA-N 2 0 393.532 -0.161 20 0 GBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520361239 1073118141 /nfs/dbraw/zinc/11/81/41/1073118141.db2.gz PCXOOZXAHYDRKH-MSOLQXFVSA-N 2 0 395.548 -0.548 20 0 GBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520361240 1073117885 /nfs/dbraw/zinc/11/78/85/1073117885.db2.gz PCXOOZXAHYDRKH-QZTJIDSGSA-N 2 0 395.548 -0.548 20 0 GBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000520361241 1073118129 /nfs/dbraw/zinc/11/81/29/1073118129.db2.gz PCXOOZXAHYDRKH-ROUUACIJSA-N 2 0 395.548 -0.548 20 0 GBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000520361242 1073118255 /nfs/dbraw/zinc/11/82/55/1073118255.db2.gz PCXOOZXAHYDRKH-ZWKOTPCHSA-N 2 0 395.548 -0.548 20 0 GBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000520407667 1073120349 /nfs/dbraw/zinc/12/03/49/1073120349.db2.gz MMCXPFPMCHNWFY-KBPBESRZSA-N 2 0 377.489 -0.164 20 0 GBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000520407668 1073120572 /nfs/dbraw/zinc/12/05/72/1073120572.db2.gz MMCXPFPMCHNWFY-KGLIPLIRSA-N 2 0 377.489 -0.164 20 0 GBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000520407669 1073120468 /nfs/dbraw/zinc/12/04/68/1073120468.db2.gz MMCXPFPMCHNWFY-UONOGXRCSA-N 2 0 377.489 -0.164 20 0 GBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000520407670 1073120176 /nfs/dbraw/zinc/12/01/76/1073120176.db2.gz MMCXPFPMCHNWFY-ZIAGYGMSSA-N 2 0 377.489 -0.164 20 0 GBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000520407870 1073120704 /nfs/dbraw/zinc/12/07/04/1073120704.db2.gz WDRUUYFUFCNEIZ-AWEZNQCLSA-N 2 0 383.474 -0.880 20 0 GBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000520407871 1073120091 /nfs/dbraw/zinc/12/00/91/1073120091.db2.gz WDRUUYFUFCNEIZ-CQSZACIVSA-N 2 0 383.474 -0.880 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000520416628 1073120665 /nfs/dbraw/zinc/12/06/65/1073120665.db2.gz MTZONRIKZNDKLS-BBWFWOEESA-N 2 0 393.532 -0.212 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000520416629 1073120381 /nfs/dbraw/zinc/12/03/81/1073120381.db2.gz MTZONRIKZNDKLS-IKGGRYGDSA-N 2 0 393.532 -0.212 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000520416630 1073120292 /nfs/dbraw/zinc/12/02/92/1073120292.db2.gz MTZONRIKZNDKLS-ULQDDVLXSA-N 2 0 393.532 -0.212 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000520416631 1073120613 /nfs/dbraw/zinc/12/06/13/1073120613.db2.gz MTZONRIKZNDKLS-ZACQAIPSSA-N 2 0 393.532 -0.212 20 0 GBADRP CC(C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000520551548 1073182244 /nfs/dbraw/zinc/18/22/44/1073182244.db2.gz GVXUROJWJDGCFJ-UHFFFAOYSA-N 2 0 390.554 -0.854 20 0 GBADRP CN1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000520773615 1073203523 /nfs/dbraw/zinc/20/35/23/1073203523.db2.gz LHHYLQXFAAYOOK-INIZCTEOSA-N 2 0 377.489 -0.656 20 0 GBADRP CN1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000520773616 1073203323 /nfs/dbraw/zinc/20/33/23/1073203323.db2.gz LHHYLQXFAAYOOK-MRXNPFEDSA-N 2 0 377.489 -0.656 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccn(CC[NH+](C)C)n2)cn1 ZINC000521065104 1073247485 /nfs/dbraw/zinc/24/74/85/1073247485.db2.gz KITHEXSGWCRMFF-UHFFFAOYSA-N 2 0 376.465 -0.429 20 0 GBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000521080409 1073248649 /nfs/dbraw/zinc/24/86/49/1073248649.db2.gz MEQKPSNMFWLVCF-KRWDZBQOSA-N 2 0 395.548 -0.107 20 0 GBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000521080410 1073248841 /nfs/dbraw/zinc/24/88/41/1073248841.db2.gz MEQKPSNMFWLVCF-QGZVFWFLSA-N 2 0 395.548 -0.107 20 0 GBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240204 1073261873 /nfs/dbraw/zinc/26/18/73/1073261873.db2.gz KCTMOHOCJSNMLB-IRXDYDNUSA-N 2 0 382.553 -0.136 20 0 GBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521240205 1073261924 /nfs/dbraw/zinc/26/19/24/1073261924.db2.gz KCTMOHOCJSNMLB-SJORKVTESA-N 2 0 382.553 -0.136 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000521355875 1073266107 /nfs/dbraw/zinc/26/61/07/1073266107.db2.gz IWQOKXQAXAAZCP-UHFFFAOYSA-N 2 0 377.493 -0.923 20 0 GBADRP CN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000521412996 1073269155 /nfs/dbraw/zinc/26/91/55/1073269155.db2.gz PKVAYAUBPBZEEP-UHFFFAOYSA-N 2 0 394.564 -0.036 20 0 GBADRP CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000521413944 1073269068 /nfs/dbraw/zinc/26/90/68/1073269068.db2.gz FKAKDAPBYNNYPJ-UHFFFAOYSA-N 2 0 381.521 -0.401 20 0 GBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000521414012 1073269041 /nfs/dbraw/zinc/26/90/41/1073269041.db2.gz KMBKSVNPJDILOL-UHFFFAOYSA-N 2 0 393.463 -0.736 20 0 GBADRP CC(=O)Nc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000521664144 1073274947 /nfs/dbraw/zinc/27/49/47/1073274947.db2.gz AUVNKCKZTGPHEN-UHFFFAOYSA-N 2 0 378.477 -0.392 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000521844775 1073279890 /nfs/dbraw/zinc/27/98/90/1073279890.db2.gz BZFDHVMUSYFUEF-HNNXBMFYSA-N 2 0 379.505 -0.471 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000521844776 1073279927 /nfs/dbraw/zinc/27/99/27/1073279927.db2.gz BZFDHVMUSYFUEF-OAHLLOKOSA-N 2 0 379.505 -0.471 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000521862993 1073281288 /nfs/dbraw/zinc/28/12/88/1073281288.db2.gz OQZXFQCXKASLEL-IBGZPJMESA-N 3 0 377.533 -0.324 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000521862994 1073281418 /nfs/dbraw/zinc/28/14/18/1073281418.db2.gz OQZXFQCXKASLEL-LJQANCHMSA-N 3 0 377.533 -0.324 20 0 GBADRP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471492 1073552335 /nfs/dbraw/zinc/55/23/35/1073552335.db2.gz OHWPRTRJIQHHOQ-DLBZAZTESA-N 2 0 382.553 -0.103 20 0 GBADRP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471493 1073552781 /nfs/dbraw/zinc/55/27/81/1073552781.db2.gz OHWPRTRJIQHHOQ-IAGOWNOFSA-N 2 0 382.553 -0.103 20 0 GBADRP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471494 1073552534 /nfs/dbraw/zinc/55/25/34/1073552534.db2.gz OHWPRTRJIQHHOQ-IRXDYDNUSA-N 2 0 382.553 -0.103 20 0 GBADRP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCN(C)CC1 ZINC000523471495 1073553014 /nfs/dbraw/zinc/55/30/14/1073553014.db2.gz OHWPRTRJIQHHOQ-SJORKVTESA-N 2 0 382.553 -0.103 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000524709834 530465860 /nfs/dbraw/zinc/46/58/60/530465860.db2.gz CJNOKHWYYABVRM-UHFFFAOYSA-N 2 0 378.520 -0.552 20 0 GBADRP Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc21 ZINC000524709862 1073595634 /nfs/dbraw/zinc/59/56/34/1073595634.db2.gz GQNPBDASAKWSRM-UHFFFAOYSA-N 2 0 398.489 -0.852 20 0 GBADRP Cc1cc(N2CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)n(C)n1 ZINC000524787879 1073600363 /nfs/dbraw/zinc/60/03/63/1073600363.db2.gz IDHVNBBMCXNYBR-HNNXBMFYSA-N 2 0 379.509 -0.031 20 0 GBADRP Cc1cc(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O)n(C)n1 ZINC000524787884 1073600272 /nfs/dbraw/zinc/60/02/72/1073600272.db2.gz IDHVNBBMCXNYBR-OAHLLOKOSA-N 2 0 379.509 -0.031 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000524905785 1073605481 /nfs/dbraw/zinc/60/54/81/1073605481.db2.gz FLGOYQJLFRJOIJ-UHFFFAOYSA-N 2 0 381.525 -0.094 20 0 GBADRP CC(=O)N1CCN(C(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000524921219 1073607069 /nfs/dbraw/zinc/60/70/69/1073607069.db2.gz UPIVJCZQYBBRMY-UHFFFAOYSA-N 2 0 384.525 -0.798 20 0 GBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815100 1073642578 /nfs/dbraw/zinc/64/25/78/1073642578.db2.gz JVXKMYAQEZPYBL-CABCVRRESA-N 2 0 382.509 -0.787 20 0 GBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000525815101 1073642615 /nfs/dbraw/zinc/64/26/15/1073642615.db2.gz JVXKMYAQEZPYBL-GJZGRUSLSA-N 2 0 382.509 -0.787 20 0 GBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000525815102 1073642349 /nfs/dbraw/zinc/64/23/49/1073642349.db2.gz JVXKMYAQEZPYBL-HUUCEWRRSA-N 2 0 382.509 -0.787 20 0 GBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000525815103 1073642665 /nfs/dbraw/zinc/64/26/65/1073642665.db2.gz JVXKMYAQEZPYBL-LSDHHAIUSA-N 2 0 382.509 -0.787 20 0 GBADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000525882432 1073645996 /nfs/dbraw/zinc/64/59/96/1073645996.db2.gz QFIAMQBCAKTONL-UHFFFAOYSA-N 2 0 388.476 -0.139 20 0 GBADRP Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1-n1cnnn1 ZINC000525882609 1073645705 /nfs/dbraw/zinc/64/57/05/1073645705.db2.gz KAGLXLZRCVQREC-UHFFFAOYSA-N 2 0 388.476 -0.139 20 0 GBADRP CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882645 1073645535 /nfs/dbraw/zinc/64/55/35/1073645535.db2.gz CMDAHHOCYAQQEW-UHFFFAOYSA-N 2 0 399.517 -0.515 20 0 GBADRP Cc1ccc(-n2nccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000525882794 1073645588 /nfs/dbraw/zinc/64/55/88/1073645588.db2.gz GDXDBPGMKGFXLN-UHFFFAOYSA-N 2 0 388.476 -0.139 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000525882809 1073645904 /nfs/dbraw/zinc/64/59/04/1073645904.db2.gz JUIANUYANVUUGB-UHFFFAOYSA-N 2 0 392.439 -0.308 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000525882813 1073645775 /nfs/dbraw/zinc/64/57/75/1073645775.db2.gz LKWCSUSKZGTQPN-UHFFFAOYSA-N 2 0 392.504 -0.192 20 0 GBADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000525882826 1073646038 /nfs/dbraw/zinc/64/60/38/1073646038.db2.gz RHYKJCRUALTVBU-UHFFFAOYSA-N 2 0 399.517 -0.467 20 0 GBADRP Cc1nnnn1-c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882890 1073645786 /nfs/dbraw/zinc/64/57/86/1073645786.db2.gz WOFSHGSIXMBHCF-UHFFFAOYSA-N 2 0 388.476 -0.139 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000525884323 1073645808 /nfs/dbraw/zinc/64/58/08/1073645808.db2.gz MVZRFFQRBKIELP-UHFFFAOYSA-N 2 0 395.508 -0.301 20 0 GBADRP COc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(N)=O ZINC000526131648 1073657149 /nfs/dbraw/zinc/65/71/49/1073657149.db2.gz JQRPBLOXWXHELR-UHFFFAOYSA-N 2 0 380.449 -0.921 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000526131663 1073657353 /nfs/dbraw/zinc/65/73/53/1073657353.db2.gz WMXKPKVLEPXDMS-UHFFFAOYSA-N 2 0 385.490 -0.776 20 0 GBADRP CN(C)C(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000526131677 1073657121 /nfs/dbraw/zinc/65/71/21/1073657121.db2.gz AQLJEFSCPAHKCR-UHFFFAOYSA-N 2 0 378.477 -0.326 20 0 GBADRP CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000526132055 1073657221 /nfs/dbraw/zinc/65/72/21/1073657221.db2.gz KTLWTEXEOLRCMF-UHFFFAOYSA-N 2 0 393.488 -0.055 20 0 GBADRP COc1ncnc(N(C)C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132116 1073656809 /nfs/dbraw/zinc/65/68/09/1073656809.db2.gz SPJCXFXZQCCKHJ-UHFFFAOYSA-N 2 0 381.481 -0.559 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000526132202 1073656902 /nfs/dbraw/zinc/65/69/02/1073656902.db2.gz DHINXWMVODVNHG-UHFFFAOYSA-N 2 0 396.513 -0.093 20 0 GBADRP CN1C(=O)COc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000527123923 1073674690 /nfs/dbraw/zinc/67/46/90/1073674690.db2.gz IVUBQAYTXFOXCQ-UHFFFAOYSA-N 2 0 391.472 -0.068 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000527123960 1073674539 /nfs/dbraw/zinc/67/45/39/1073674539.db2.gz XEOIFOBDKNFZRU-UHFFFAOYSA-N 2 0 385.490 -0.625 20 0 GBADRP CN1C(=O)c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1=O ZINC000527124098 1073674625 /nfs/dbraw/zinc/67/46/25/1073674625.db2.gz XJHCXQPMGDUMAB-UHFFFAOYSA-N 2 0 389.456 -0.197 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000527124120 1073674986 /nfs/dbraw/zinc/67/49/86/1073674986.db2.gz NLWYLLQZLKEFCW-UHFFFAOYSA-N 2 0 384.502 -0.020 20 0 GBADRP Cn1nc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC(F)F ZINC000527124237 1073674599 /nfs/dbraw/zinc/67/45/99/1073674599.db2.gz BUKSYCBTZBGMNY-UHFFFAOYSA-N 2 0 376.408 -0.088 20 0 GBADRP Cn1c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2n(C)c1=O ZINC000527124251 1073674744 /nfs/dbraw/zinc/67/47/44/1073674744.db2.gz HREJNGYDIBFMOT-UHFFFAOYSA-N 2 0 390.488 -0.233 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000527126451 1073674099 /nfs/dbraw/zinc/67/40/99/1073674099.db2.gz DLGGMWBOLSFKPH-UHFFFAOYSA-N 2 0 395.508 -0.301 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000527373792 1073684020 /nfs/dbraw/zinc/68/40/20/1073684020.db2.gz CSOCDMTXKGQTLA-UHFFFAOYSA-N 2 0 377.445 -0.092 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000527373871 1073683821 /nfs/dbraw/zinc/68/38/21/1073683821.db2.gz MMVNXSQHODBMNR-UHFFFAOYSA-N 2 0 389.460 -0.448 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000527373977 1073683881 /nfs/dbraw/zinc/68/38/81/1073683881.db2.gz BIXHRBXEVDDMFA-HNNXBMFYSA-N 2 0 380.493 -0.190 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000527373978 1073683983 /nfs/dbraw/zinc/68/39/83/1073683983.db2.gz BIXHRBXEVDDMFA-OAHLLOKOSA-N 2 0 380.493 -0.190 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000527374057 1073683958 /nfs/dbraw/zinc/68/39/58/1073683958.db2.gz MNNCDEAFQRHEQW-UHFFFAOYSA-N 2 0 384.502 -0.020 20 0 GBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1-n1cnnn1 ZINC000527374069 1073684055 /nfs/dbraw/zinc/68/40/55/1073684055.db2.gz UWBZRSCHOWZQJD-UHFFFAOYSA-N 2 0 388.476 -0.139 20 0 GBADRP COc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1C(N)=O ZINC000527374149 1073683860 /nfs/dbraw/zinc/68/38/60/1073683860.db2.gz HIRCOLCJXBCZNV-UHFFFAOYSA-N 2 0 379.461 -0.316 20 0 GBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(-c2ncccn2)n1 ZINC000527374338 1073683849 /nfs/dbraw/zinc/68/38/49/1073683849.db2.gz HAAOWOQPBXEVNC-UHFFFAOYSA-N 2 0 388.476 -0.139 20 0 GBADRP Cn1c(=O)c2cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc2n(C)c1=O ZINC000527376706 1073684048 /nfs/dbraw/zinc/68/40/48/1073684048.db2.gz KTVIIGMNXNXWRY-UHFFFAOYSA-N 2 0 391.476 -0.411 20 0 GBADRP C[NH+](C)CCn1nccc1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528691203 1073721124 /nfs/dbraw/zinc/72/11/24/1073721124.db2.gz DSLDKEMAACYXBP-UHFFFAOYSA-N 2 0 378.481 -0.381 20 0 GBADRP C[C@]1(CO)C[NH+](CCOCC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528752313 1073723083 /nfs/dbraw/zinc/72/30/83/1073723083.db2.gz OXMGTGNPRXLQSK-FGYAAKKASA-N 2 0 388.549 -0.371 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529282057 1073730069 /nfs/dbraw/zinc/73/00/69/1073730069.db2.gz HWEHEGNRTFVYEX-KRWDZBQOSA-N 2 0 396.536 -0.304 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529282058 1073730120 /nfs/dbraw/zinc/73/01/20/1073730120.db2.gz HWEHEGNRTFVYEX-QGZVFWFLSA-N 2 0 396.536 -0.304 20 0 GBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000529288816 1073731533 /nfs/dbraw/zinc/73/15/33/1073731533.db2.gz NJKFPFRSCZBYRT-CALCHBBNSA-N 2 0 396.536 -0.162 20 0 GBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000529288818 1073731307 /nfs/dbraw/zinc/73/13/07/1073731307.db2.gz NJKFPFRSCZBYRT-IAGOWNOFSA-N 2 0 396.536 -0.162 20 0 GBADRP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000529288819 1073732026 /nfs/dbraw/zinc/73/20/26/1073732026.db2.gz NJKFPFRSCZBYRT-IRXDYDNUSA-N 2 0 396.536 -0.162 20 0 GBADRP C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529291695 1073731597 /nfs/dbraw/zinc/73/15/97/1073731597.db2.gz ZPOWWYZSPGSXBZ-UHFFFAOYSA-N 2 0 395.552 -0.635 20 0 GBADRP COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529297906 1073730738 /nfs/dbraw/zinc/73/07/38/1073730738.db2.gz GLNMLLUBCGDTLT-UHFFFAOYSA-N 2 0 382.509 -0.550 20 0 GBADRP COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529299741 1073731958 /nfs/dbraw/zinc/73/19/58/1073731958.db2.gz BTJAUVKVBQYPHW-UHFFFAOYSA-N 2 0 396.536 -0.160 20 0 GBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304153 1073732836 /nfs/dbraw/zinc/73/28/36/1073732836.db2.gz HAMYWVOOALXWKK-INIZCTEOSA-N 2 0 382.509 -0.550 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529304155 1073732565 /nfs/dbraw/zinc/73/25/65/1073732565.db2.gz HAMYWVOOALXWKK-MRXNPFEDSA-N 2 0 382.509 -0.550 20 0 GBADRP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000529313899 1073732758 /nfs/dbraw/zinc/73/27/58/1073732758.db2.gz RMIGOZOZQIYMIM-KRWDZBQOSA-N 2 0 395.552 -0.778 20 0 GBADRP C[C@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000529313900 1073733038 /nfs/dbraw/zinc/73/30/38/1073733038.db2.gz RMIGOZOZQIYMIM-QGZVFWFLSA-N 2 0 395.552 -0.778 20 0 GBADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529372157 1073736075 /nfs/dbraw/zinc/73/60/75/1073736075.db2.gz DTOMOCNAJLWEBN-KRWDZBQOSA-N 2 0 381.521 -0.002 20 0 GBADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529372158 1073735857 /nfs/dbraw/zinc/73/58/57/1073735857.db2.gz DTOMOCNAJLWEBN-QGZVFWFLSA-N 2 0 381.521 -0.002 20 0 GBADRP O=C(CN1CCN(C(=O)N2CC[NH2+]CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000530220836 1073763555 /nfs/dbraw/zinc/76/35/55/1073763555.db2.gz DDQBVEUJDYHLBY-UHFFFAOYSA-N 2 0 378.521 -0.628 20 0 GBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530220891 1073763097 /nfs/dbraw/zinc/76/30/97/1073763097.db2.gz DRRKBHTULLLWBL-UHFFFAOYSA-N 2 0 380.537 -0.382 20 0 GBADRP Cn1c2ncn(CC[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000530240101 1073764551 /nfs/dbraw/zinc/76/45/51/1073764551.db2.gz KPBZNOKCWKOREJ-HNNXBMFYSA-N 2 0 390.488 -0.476 20 0 GBADRP Cn1c2ncn(CC[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000530240107 1073764719 /nfs/dbraw/zinc/76/47/19/1073764719.db2.gz KPBZNOKCWKOREJ-OAHLLOKOSA-N 2 0 390.488 -0.476 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530240765 1073764313 /nfs/dbraw/zinc/76/43/13/1073764313.db2.gz NJZNHQBVXCMOGM-GOSISDBHSA-N 2 0 395.548 -0.691 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530240766 1073764258 /nfs/dbraw/zinc/76/42/58/1073764258.db2.gz NJZNHQBVXCMOGM-SFHVURJKSA-N 2 0 395.548 -0.691 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000530376178 530471247 /nfs/dbraw/zinc/47/12/47/530471247.db2.gz UHBASGLOKRIIKT-UHFFFAOYSA-N 2 0 398.595 -0.587 20 0 GBADRP Cc1nc(S(=O)(=O)NCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1C ZINC000530644841 1073777215 /nfs/dbraw/zinc/77/72/15/1073777215.db2.gz HCFKRXSTNPMUBC-UHFFFAOYSA-N 2 0 388.538 -0.651 20 0 GBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1=O ZINC000530814639 1073783447 /nfs/dbraw/zinc/78/34/47/1073783447.db2.gz WVIAZLAYYCKLQH-INIZCTEOSA-N 2 0 379.505 -0.837 20 0 GBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1=O ZINC000530814640 1073783290 /nfs/dbraw/zinc/78/32/90/1073783290.db2.gz WVIAZLAYYCKLQH-MRXNPFEDSA-N 2 0 379.505 -0.837 20 0 GBADRP Cn1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000531119042 1073793918 /nfs/dbraw/zinc/79/39/18/1073793918.db2.gz ZLIWOSKEEYHMPI-UHFFFAOYSA-N 2 0 378.477 -0.859 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000531357638 1073803748 /nfs/dbraw/zinc/80/37/48/1073803748.db2.gz NBFZTXHUDPOZEL-UHFFFAOYSA-N 2 0 389.508 -0.313 20 0 GBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000532275362 1073834621 /nfs/dbraw/zinc/83/46/21/1073834621.db2.gz FTFWJAIGCKXJHH-AWEZNQCLSA-N 2 0 393.492 -0.900 20 0 GBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000532275363 1073834699 /nfs/dbraw/zinc/83/46/99/1073834699.db2.gz FTFWJAIGCKXJHH-CQSZACIVSA-N 2 0 393.492 -0.900 20 0 GBADRP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583852 530297833 /nfs/dbraw/zinc/29/78/33/530297833.db2.gz ZMBZQVUIYMJMEN-GASCZTMLSA-N 2 0 396.579 -0.596 20 0 GBADRP CS(=O)(=O)N[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000532583868 530298166 /nfs/dbraw/zinc/29/81/66/530298166.db2.gz ZMBZQVUIYMJMEN-GJZGRUSLSA-N 2 0 396.579 -0.596 20 0 GBADRP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000532583870 530298035 /nfs/dbraw/zinc/29/80/35/530298035.db2.gz ZMBZQVUIYMJMEN-HUUCEWRRSA-N 2 0 396.579 -0.596 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000533591388 530078094 /nfs/dbraw/zinc/07/80/94/530078094.db2.gz NMEYSHOTEJTQIJ-UHFFFAOYSA-N 2 0 377.555 -0.207 20 0 GBADRP CCS(=O)(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000534601658 530268809 /nfs/dbraw/zinc/26/88/09/530268809.db2.gz PVIKKEQCIFVUHR-UHFFFAOYSA-N 2 0 377.555 -0.065 20 0 GBADRP CC[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](CC)C3)CC2)C[C@H]1O ZINC000535574227 1073299931 /nfs/dbraw/zinc/29/99/31/1073299931.db2.gz IJYFJXSQCVEVFF-USTZCAOPSA-N 2 0 396.532 -0.937 20 0 GBADRP CS(=O)(=O)N[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724254 530285293 /nfs/dbraw/zinc/28/52/93/530285293.db2.gz HXNRQXFIWAWASN-KBPBESRZSA-N 2 0 382.552 -0.986 20 0 GBADRP CS(=O)(=O)N[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000535724265 530285087 /nfs/dbraw/zinc/28/50/87/530285087.db2.gz HXNRQXFIWAWASN-OKILXGFUSA-N 2 0 382.552 -0.986 20 0 GBADRP CS(=O)(=O)N[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000535724268 530285318 /nfs/dbraw/zinc/28/53/18/530285318.db2.gz HXNRQXFIWAWASN-ZIAGYGMSSA-N 2 0 382.552 -0.986 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1n1ccnc1 ZINC000535764748 1072259161 /nfs/dbraw/zinc/25/91/61/1072259161.db2.gz UELOVLBNIZVWKI-DLBZAZTESA-N 2 0 376.505 -0.002 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1n1ccnc1 ZINC000535764751 1072259279 /nfs/dbraw/zinc/25/92/79/1072259279.db2.gz UELOVLBNIZVWKI-IAGOWNOFSA-N 2 0 376.505 -0.002 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000535764752 1072259235 /nfs/dbraw/zinc/25/92/35/1072259235.db2.gz UELOVLBNIZVWKI-IRXDYDNUSA-N 2 0 376.505 -0.002 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000535764753 1072259026 /nfs/dbraw/zinc/25/90/26/1072259026.db2.gz UELOVLBNIZVWKI-SJORKVTESA-N 2 0 376.505 -0.002 20 0 GBADRP CO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599257 1073948487 /nfs/dbraw/zinc/94/84/87/1073948487.db2.gz PJGQUTCHULEANV-HDICACEKSA-N 2 0 396.532 -0.121 20 0 GBADRP CO[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](OC)C3)CC2)C1 ZINC000536599258 1073948323 /nfs/dbraw/zinc/94/83/23/1073948323.db2.gz PJGQUTCHULEANV-QZTJIDSGSA-N 2 0 396.532 -0.121 20 0 GBADRP CO[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](OC)C3)CC2)C1 ZINC000536599259 1073948535 /nfs/dbraw/zinc/94/85/35/1073948535.db2.gz PJGQUTCHULEANV-ROUUACIJSA-N 2 0 396.532 -0.121 20 0 GBADRP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000544298216 1072980024 /nfs/dbraw/zinc/98/00/24/1072980024.db2.gz ZMISOMJFKXTISL-MOPGFXCFSA-N 2 0 399.580 -0.137 20 0 GBADRP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1C[C@H](C)O ZINC000544298217 1072979942 /nfs/dbraw/zinc/97/99/42/1072979942.db2.gz ZMISOMJFKXTISL-OALUTQOASA-N 2 0 399.580 -0.137 20 0 GBADRP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1C[C@H](C)O ZINC000544298218 1072980988 /nfs/dbraw/zinc/98/09/88/1072980988.db2.gz ZMISOMJFKXTISL-RBUKOAKNSA-N 2 0 399.580 -0.137 20 0 GBADRP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000544298219 1072980905 /nfs/dbraw/zinc/98/09/05/1072980905.db2.gz ZMISOMJFKXTISL-RTBURBONSA-N 2 0 399.580 -0.137 20 0 GBADRP NS(=O)(=O)[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398778 530479546 /nfs/dbraw/zinc/47/95/46/530479546.db2.gz GVOCQBRJZPVCFJ-KBPBESRZSA-N 2 0 382.552 -0.728 20 0 GBADRP NS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000544398781 530479782 /nfs/dbraw/zinc/47/97/82/530479782.db2.gz GVOCQBRJZPVCFJ-OKILXGFUSA-N 2 0 382.552 -0.728 20 0 GBADRP NS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000544398782 530479476 /nfs/dbraw/zinc/47/94/76/530479476.db2.gz GVOCQBRJZPVCFJ-ZIAGYGMSSA-N 2 0 382.552 -0.728 20 0 GBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC[NH+]1CCCC1 ZINC000544709723 530479841 /nfs/dbraw/zinc/47/98/41/530479841.db2.gz IBDQRXQHAKAHAB-UHFFFAOYSA-N 2 0 376.523 -0.866 20 0 GBADRP C[C@]1(CO)CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000544759726 1073718917 /nfs/dbraw/zinc/71/89/17/1073718917.db2.gz QTWNBXCUCJTNGZ-BGYRXZFFSA-N 2 0 396.532 -0.649 20 0 GBADRP C[C@@]1(CO)CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000544759727 1073719197 /nfs/dbraw/zinc/71/91/97/1073719197.db2.gz QTWNBXCUCJTNGZ-PMACEKPBSA-N 2 0 396.532 -0.649 20 0 GBADRP C[C@]1(CO)CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000544759728 1073718526 /nfs/dbraw/zinc/71/85/26/1073718526.db2.gz QTWNBXCUCJTNGZ-WOJBJXKFSA-N 2 0 396.532 -0.649 20 0 GBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCN1CCOCC1 ZINC000547716059 530482798 /nfs/dbraw/zinc/48/27/98/530482798.db2.gz DXOHMXOTYCUCEB-UHFFFAOYSA-N 2 0 376.567 -0.004 20 0 GBADRP COCCN(CCOC)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000548044480 530484029 /nfs/dbraw/zinc/48/40/29/530484029.db2.gz WJYIHQGWRZCZAB-UHFFFAOYSA-N 2 0 380.555 -0.216 20 0 GBADRP CC[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630051 1072300438 /nfs/dbraw/zinc/30/04/38/1072300438.db2.gz WRBVKHZPGHUIKU-BGYRXZFFSA-N 2 0 396.532 -0.649 20 0 GBADRP CC[C@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@](O)(CC)C3)CC2)C1 ZINC000548630052 1072300772 /nfs/dbraw/zinc/30/07/72/1072300772.db2.gz WRBVKHZPGHUIKU-PMACEKPBSA-N 2 0 396.532 -0.649 20 0 GBADRP CC[C@@]1(O)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](O)(CC)C3)CC2)C1 ZINC000548630053 1072300496 /nfs/dbraw/zinc/30/04/96/1072300496.db2.gz WRBVKHZPGHUIKU-WOJBJXKFSA-N 2 0 396.532 -0.649 20 0 GBADRP Cn1cc(N2CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)cn1 ZINC000548800978 1072477702 /nfs/dbraw/zinc/47/77/02/1072477702.db2.gz JCXVZDOIJBFSDU-INIZCTEOSA-N 2 0 393.536 -0.543 20 0 GBADRP Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)cn1 ZINC000548800979 1072477755 /nfs/dbraw/zinc/47/77/55/1072477755.db2.gz JCXVZDOIJBFSDU-MRXNPFEDSA-N 2 0 393.536 -0.543 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000548942299 530486434 /nfs/dbraw/zinc/48/64/34/530486434.db2.gz UPPKBLXCRCMYPZ-CABCVRRESA-N 2 0 377.555 -0.161 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000548942300 530486732 /nfs/dbraw/zinc/48/67/32/530486732.db2.gz UPPKBLXCRCMYPZ-GJZGRUSLSA-N 2 0 377.555 -0.161 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000548942301 530486521 /nfs/dbraw/zinc/48/65/21/530486521.db2.gz UPPKBLXCRCMYPZ-HUUCEWRRSA-N 2 0 377.555 -0.161 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000548942302 530486582 /nfs/dbraw/zinc/48/65/82/530486582.db2.gz UPPKBLXCRCMYPZ-LSDHHAIUSA-N 2 0 377.555 -0.161 20 0 GBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC000549967247 1072585049 /nfs/dbraw/zinc/58/50/49/1072585049.db2.gz IOJNKNXQOMOGEH-KRWDZBQOSA-N 2 0 395.548 -0.014 20 0 GBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC000549967248 1072584916 /nfs/dbraw/zinc/58/49/16/1072584916.db2.gz IOJNKNXQOMOGEH-QGZVFWFLSA-N 2 0 395.548 -0.014 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000549978780 1072725782 /nfs/dbraw/zinc/72/57/82/1072725782.db2.gz IKKBOZHJBUFBLL-UHFFFAOYSA-N 2 0 389.500 -0.195 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550029280 1073006253 /nfs/dbraw/zinc/00/62/53/1073006253.db2.gz QNZZEGDKYXHXCJ-UHFFFAOYSA-N 2 0 375.517 -0.060 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000550189276 1073028615 /nfs/dbraw/zinc/02/86/15/1073028615.db2.gz YODOSOWBONBGOS-IKGGRYGDSA-N 2 0 393.532 -0.260 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000550189282 1073028685 /nfs/dbraw/zinc/02/86/85/1073028685.db2.gz YODOSOWBONBGOS-IXDOHACOSA-N 2 0 393.532 -0.260 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000550265402 1073036303 /nfs/dbraw/zinc/03/63/03/1073036303.db2.gz HLKLABRKKGDKFM-GOSISDBHSA-N 2 0 395.548 -0.547 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000550265403 1073036339 /nfs/dbraw/zinc/03/63/39/1073036339.db2.gz HLKLABRKKGDKFM-SFHVURJKSA-N 2 0 395.548 -0.547 20 0 GBADRP O=C(NCCCN1CCOCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000550269824 1073036014 /nfs/dbraw/zinc/03/60/14/1073036014.db2.gz IZXNQYBJOINTNJ-UHFFFAOYSA-N 2 0 382.505 -0.604 20 0 GBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292700 1073075158 /nfs/dbraw/zinc/07/51/58/1073075158.db2.gz ZTUPZQIDYRIHEZ-UHFFFAOYSA-N 2 0 376.505 -0.140 20 0 GBADRP CN(C)C(=O)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000550296045 1073078013 /nfs/dbraw/zinc/07/80/13/1073078013.db2.gz FDVQUNGUMSOAFP-UHFFFAOYSA-N 2 0 391.516 -0.044 20 0 GBADRP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CCOCC1 ZINC000550358838 1073125252 /nfs/dbraw/zinc/12/52/52/1073125252.db2.gz XCEJTBYPXVCWIR-DLBZAZTESA-N 2 0 383.537 -0.789 20 0 GBADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CCOCC1 ZINC000550358839 1073125172 /nfs/dbraw/zinc/12/51/72/1073125172.db2.gz XCEJTBYPXVCWIR-IAGOWNOFSA-N 2 0 383.537 -0.789 20 0 GBADRP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CCOCC1 ZINC000550358840 1073125347 /nfs/dbraw/zinc/12/53/47/1073125347.db2.gz XCEJTBYPXVCWIR-IRXDYDNUSA-N 2 0 383.537 -0.789 20 0 GBADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CCOCC1 ZINC000550358841 1073125021 /nfs/dbraw/zinc/12/50/21/1073125021.db2.gz XCEJTBYPXVCWIR-SJORKVTESA-N 2 0 383.537 -0.789 20 0 GBADRP CC(C)C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)N1CCOCC1 ZINC000550358894 1073125227 /nfs/dbraw/zinc/12/52/27/1073125227.db2.gz YPMLYDDARBQROA-GOSISDBHSA-N 2 0 398.548 -0.235 20 0 GBADRP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)N1CCOCC1 ZINC000550358895 1073125089 /nfs/dbraw/zinc/12/50/89/1073125089.db2.gz YPMLYDDARBQROA-SFHVURJKSA-N 2 0 398.548 -0.235 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550362690 1073126289 /nfs/dbraw/zinc/12/62/89/1073126289.db2.gz APAMMDLQBSALHN-UHFFFAOYSA-N 2 0 395.548 -0.012 20 0 GBADRP C[NH+]1CCC(NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000550371469 1073127248 /nfs/dbraw/zinc/12/72/48/1073127248.db2.gz BFAAVMWPSXZQTE-UHFFFAOYSA-N 2 0 395.548 -0.060 20 0 GBADRP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC1)C2 ZINC000550375555 1073126968 /nfs/dbraw/zinc/12/69/68/1073126968.db2.gz GUJBEMLQUHICEA-JWTNVVGKSA-N 2 0 377.533 -0.034 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550378044 1073126844 /nfs/dbraw/zinc/12/68/44/1073126844.db2.gz NRMOFMAEBGHJEG-UHFFFAOYSA-N 2 0 395.548 -0.010 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000550381727 1073129452 /nfs/dbraw/zinc/12/94/52/1073129452.db2.gz MAAAFALKEDCOSZ-JQHSSLGASA-N 2 0 379.549 -0.027 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000550381729 1073129023 /nfs/dbraw/zinc/12/90/23/1073129023.db2.gz MAAAFALKEDCOSZ-NJAFHUGGSA-N 2 0 379.549 -0.027 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000550381730 1073128729 /nfs/dbraw/zinc/12/87/29/1073128729.db2.gz MAAAFALKEDCOSZ-NXHRZFHOSA-N 2 0 379.549 -0.027 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000550381731 1073129186 /nfs/dbraw/zinc/12/91/86/1073129186.db2.gz MAAAFALKEDCOSZ-SZMVWBNQSA-N 2 0 379.549 -0.027 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382350 1073129132 /nfs/dbraw/zinc/12/91/32/1073129132.db2.gz RUMXOABUEQZTMH-AEFFLSMTSA-N 2 0 379.549 -0.025 20 0 GBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382351 1073128820 /nfs/dbraw/zinc/12/88/20/1073128820.db2.gz RUMXOABUEQZTMH-FUHWJXTLSA-N 2 0 379.549 -0.025 20 0 GBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382352 1073129409 /nfs/dbraw/zinc/12/94/09/1073129409.db2.gz RUMXOABUEQZTMH-SJLPKXTDSA-N 2 0 379.549 -0.025 20 0 GBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000550382353 1073129228 /nfs/dbraw/zinc/12/92/28/1073129228.db2.gz RUMXOABUEQZTMH-WMZOPIPTSA-N 2 0 379.549 -0.025 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000550432699 1073195422 /nfs/dbraw/zinc/19/54/22/1073195422.db2.gz KEDMZKPSSIVPSA-UHFFFAOYSA-N 2 0 379.509 -0.428 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000550456024 1073249681 /nfs/dbraw/zinc/24/96/81/1073249681.db2.gz QJQJGMFIFFQLNW-GOSISDBHSA-N 2 0 397.564 -0.397 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000550456025 1073249476 /nfs/dbraw/zinc/24/94/76/1073249476.db2.gz QJQJGMFIFFQLNW-SFHVURJKSA-N 2 0 397.564 -0.397 20 0 GBADRP CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550478492 1073298255 /nfs/dbraw/zinc/29/82/55/1073298255.db2.gz BHEMYXDMQMJLFH-UHFFFAOYSA-N 2 0 389.500 -0.355 20 0 GBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000550482744 1073299323 /nfs/dbraw/zinc/29/93/23/1073299323.db2.gz FYLAEKIMLJVREB-KRWDZBQOSA-N 2 0 397.564 -0.254 20 0 GBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CCCO1 ZINC000550482745 1073299261 /nfs/dbraw/zinc/29/92/61/1073299261.db2.gz FYLAEKIMLJVREB-QGZVFWFLSA-N 2 0 397.564 -0.254 20 0 GBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000550490388 1073300363 /nfs/dbraw/zinc/30/03/63/1073300363.db2.gz ZHMHFLZRYQWJFI-UHFFFAOYSA-N 2 0 393.532 -0.256 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550492925 1073300017 /nfs/dbraw/zinc/30/00/17/1073300017.db2.gz AANYYAFJVNLQOK-UHFFFAOYSA-N 2 0 393.532 -0.255 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550495436 1073300791 /nfs/dbraw/zinc/30/07/91/1073300791.db2.gz SRHMLWVYKNPYBP-UHFFFAOYSA-N 2 0 395.548 -0.009 20 0 GBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550554415 1073315154 /nfs/dbraw/zinc/31/51/54/1073315154.db2.gz NHUIHSFEQXYTEB-UHFFFAOYSA-N 2 0 397.564 -0.302 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000554615801 530493779 /nfs/dbraw/zinc/49/37/79/530493779.db2.gz RBAXUVCMIFSDPT-HNNXBMFYSA-N 2 0 377.555 -0.065 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000554615802 530493746 /nfs/dbraw/zinc/49/37/46/530493746.db2.gz RBAXUVCMIFSDPT-OAHLLOKOSA-N 2 0 377.555 -0.065 20 0 GBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1CC1 ZINC000557380016 1072461830 /nfs/dbraw/zinc/46/18/30/1072461830.db2.gz QQBBSKKYDVAUAJ-INIZCTEOSA-N 2 0 379.505 -0.648 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000560013450 1072353530 /nfs/dbraw/zinc/35/35/30/1072353530.db2.gz PNEVMYKOISJQAR-KRWDZBQOSA-N 2 0 396.580 -0.872 20 0 GBADRP C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000560013457 1072353148 /nfs/dbraw/zinc/35/31/48/1072353148.db2.gz PNEVMYKOISJQAR-QGZVFWFLSA-N 2 0 396.580 -0.872 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000561865535 1072487479 /nfs/dbraw/zinc/48/74/79/1072487479.db2.gz SNZZIBGENCBZLW-UHFFFAOYSA-N 2 0 387.488 -0.165 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@H]2[NH3+])cn1 ZINC000562981810 1072230216 /nfs/dbraw/zinc/23/02/16/1072230216.db2.gz MSKHYQVAFWNBHJ-BFHYXJOUSA-N 2 0 389.426 -0.308 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)C[C@H]2[NH3+])cn1 ZINC000562981812 1072230287 /nfs/dbraw/zinc/23/02/87/1072230287.db2.gz MSKHYQVAFWNBHJ-MJBXVCDLSA-N 2 0 389.426 -0.308 20 0 GBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000563007950 1072237761 /nfs/dbraw/zinc/23/77/61/1072237761.db2.gz PVAXLMAMPLOBMP-CEXWTWQISA-N 2 0 384.565 -0.157 20 0 GBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000563007951 1072237898 /nfs/dbraw/zinc/23/78/98/1072237898.db2.gz PVAXLMAMPLOBMP-GUDVDZBRSA-N 2 0 384.565 -0.157 20 0 GBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000563007952 1072237731 /nfs/dbraw/zinc/23/77/31/1072237731.db2.gz PVAXLMAMPLOBMP-OTWHNJEPSA-N 2 0 384.565 -0.157 20 0 GBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000563007953 1072237716 /nfs/dbraw/zinc/23/77/16/1072237716.db2.gz PVAXLMAMPLOBMP-QRVBRYPASA-N 2 0 384.565 -0.157 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2(CCOCC2)O1 ZINC000563147511 1073598748 /nfs/dbraw/zinc/59/87/48/1073598748.db2.gz GTCVJCHYMCDFBG-MRXNPFEDSA-N 2 0 384.521 -0.265 20 0 GBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000563333760 1072348202 /nfs/dbraw/zinc/34/82/02/1072348202.db2.gz CMFDXPHQCVGXDS-UHFFFAOYSA-N 2 0 397.564 -0.302 20 0 GBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563640761 1073870610 /nfs/dbraw/zinc/87/06/10/1073870610.db2.gz UUMBSKRVIGFRLG-NVXWUHKLSA-N 2 0 387.484 -0.829 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000564430600 1072467566 /nfs/dbraw/zinc/46/75/66/1072467566.db2.gz OAUUDYDRHSIKKZ-SJORKVTESA-N 2 0 381.521 -0.051 20 0 GBADRP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCCC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468762 530495067 /nfs/dbraw/zinc/49/50/67/530495067.db2.gz KFBTXYUTVBXVGD-GASCZTMLSA-N 2 0 396.579 -0.338 20 0 GBADRP NS(=O)(=O)C[C@@H]1CCC[NH+]1CCCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000564468763 530495121 /nfs/dbraw/zinc/49/51/21/530495121.db2.gz KFBTXYUTVBXVGD-GJZGRUSLSA-N 2 0 396.579 -0.338 20 0 GBADRP NS(=O)(=O)C[C@H]1CCC[NH+]1CCCCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000564468764 530495349 /nfs/dbraw/zinc/49/53/49/530495349.db2.gz KFBTXYUTVBXVGD-HUUCEWRRSA-N 2 0 396.579 -0.338 20 0 GBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000564660475 1072309031 /nfs/dbraw/zinc/30/90/31/1072309031.db2.gz JIINJHCBAMNBRE-KRWDZBQOSA-N 2 0 394.564 -0.975 20 0 GBADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000564660481 1072308953 /nfs/dbraw/zinc/30/89/53/1072308953.db2.gz JIINJHCBAMNBRE-QGZVFWFLSA-N 2 0 394.564 -0.975 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000568975735 530504486 /nfs/dbraw/zinc/50/44/86/530504486.db2.gz LEHXLJXCCVCZPG-GFCCVEGCSA-N 2 0 396.966 -0.122 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000568975736 530504387 /nfs/dbraw/zinc/50/43/87/530504387.db2.gz LEHXLJXCCVCZPG-LBPRGKRZSA-N 2 0 396.966 -0.122 20 0 GBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624944 1072445497 /nfs/dbraw/zinc/44/54/97/1072445497.db2.gz BDXHJOANVPTBFY-MSOLQXFVSA-N 2 0 399.495 -0.331 20 0 GBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624946 1072445636 /nfs/dbraw/zinc/44/56/36/1072445636.db2.gz BDXHJOANVPTBFY-QZTJIDSGSA-N 2 0 399.495 -0.331 20 0 GBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624948 1072445162 /nfs/dbraw/zinc/44/51/62/1072445162.db2.gz BDXHJOANVPTBFY-ROUUACIJSA-N 2 0 399.495 -0.331 20 0 GBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000569624949 1072444974 /nfs/dbraw/zinc/44/49/74/1072444974.db2.gz BDXHJOANVPTBFY-ZWKOTPCHSA-N 2 0 399.495 -0.331 20 0 GBADRP Cn1ccc(CCNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000569835012 1072807245 /nfs/dbraw/zinc/80/72/45/1072807245.db2.gz VSKAYLLPZJPNLR-UHFFFAOYSA-N 2 0 399.499 -0.198 20 0 GBADRP CN1C(=O)COc2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000569893545 1072812511 /nfs/dbraw/zinc/81/25/11/1072812511.db2.gz GEISKGROIDRLKD-UHFFFAOYSA-N 2 0 391.472 -0.068 20 0 GBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000570091952 1072831578 /nfs/dbraw/zinc/83/15/78/1072831578.db2.gz OQEQPLSZHXBSCS-MRXNPFEDSA-N 2 0 375.473 -0.223 20 0 GBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000570177523 1072846292 /nfs/dbraw/zinc/84/62/92/1072846292.db2.gz UHOCAQPTIJCWMQ-DLBZAZTESA-N 2 0 393.532 -0.448 20 0 GBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000570177526 1072847339 /nfs/dbraw/zinc/84/73/39/1072847339.db2.gz UHOCAQPTIJCWMQ-SJORKVTESA-N 2 0 393.532 -0.448 20 0 GBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000570298363 1072863504 /nfs/dbraw/zinc/86/35/04/1072863504.db2.gz OEMPBILTJDLQLI-DLBZAZTESA-N 2 0 391.516 -0.694 20 0 GBADRP CN(CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000571158450 530208683 /nfs/dbraw/zinc/20/86/83/530208683.db2.gz IFJPJKKIDDYTDN-AWEZNQCLSA-N 2 0 376.548 -0.434 20 0 GBADRP CN(CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000571158451 530208343 /nfs/dbraw/zinc/20/83/43/530208343.db2.gz IFJPJKKIDDYTDN-CQSZACIVSA-N 2 0 376.548 -0.434 20 0 GBADRP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)s1 ZINC000574444996 530508344 /nfs/dbraw/zinc/50/83/44/530508344.db2.gz LHKGQQDXHQKBDN-AWEZNQCLSA-N 2 0 376.548 -0.467 20 0 GBADRP Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC000574444997 530508206 /nfs/dbraw/zinc/50/82/06/530508206.db2.gz LHKGQQDXHQKBDN-CQSZACIVSA-N 2 0 376.548 -0.467 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000574565616 530508143 /nfs/dbraw/zinc/50/81/43/530508143.db2.gz XVWIBHQFCLKWFW-HNNXBMFYSA-N 2 0 390.937 -0.184 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000574565617 530507998 /nfs/dbraw/zinc/50/79/98/530507998.db2.gz XVWIBHQFCLKWFW-OAHLLOKOSA-N 2 0 390.937 -0.184 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000574911276 1072944246 /nfs/dbraw/zinc/94/42/46/1072944246.db2.gz YOGVOJJMFTZZHB-ZACQAIPSSA-N 2 0 391.516 -0.648 20 0 GBADRP Cc1noc(C)c1S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576319246 530510666 /nfs/dbraw/zinc/51/06/66/530510666.db2.gz ONVQTTMVCHCDKG-UHFFFAOYSA-N 2 0 375.495 -0.478 20 0 GBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000576461651 1073935333 /nfs/dbraw/zinc/93/53/33/1073935333.db2.gz CWQQUXINPMJHOY-CVEARBPZSA-N 2 0 376.457 -0.110 20 0 GBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000576461652 1073935674 /nfs/dbraw/zinc/93/56/74/1073935674.db2.gz CWQQUXINPMJHOY-HOTGVXAUSA-N 2 0 376.457 -0.110 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000579342584 1073164738 /nfs/dbraw/zinc/16/47/38/1073164738.db2.gz UJYBXEXLEKNXSF-FGTMMUONSA-N 2 0 394.564 -0.895 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000579342585 1073164765 /nfs/dbraw/zinc/16/47/65/1073164765.db2.gz UJYBXEXLEKNXSF-KSZLIROESA-N 2 0 394.564 -0.895 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000579342586 1073165011 /nfs/dbraw/zinc/16/50/11/1073165011.db2.gz UJYBXEXLEKNXSF-KURKYZTESA-N 2 0 394.564 -0.895 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000579342587 1073165110 /nfs/dbraw/zinc/16/51/10/1073165110.db2.gz UJYBXEXLEKNXSF-KZNAEPCWSA-N 2 0 394.564 -0.895 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000579730983 1072131030 /nfs/dbraw/zinc/13/10/30/1072131030.db2.gz RODHMCBJHVDYDR-INIZCTEOSA-N 2 0 392.504 0.097 20 0 GBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000579730987 1072130927 /nfs/dbraw/zinc/13/09/27/1072130927.db2.gz RODHMCBJHVDYDR-MRXNPFEDSA-N 2 0 392.504 0.097 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000579735678 1072132609 /nfs/dbraw/zinc/13/26/09/1072132609.db2.gz LBBUSDNBJZCANN-UHFFFAOYSA-N 2 0 395.548 -0.059 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000579805991 1072152203 /nfs/dbraw/zinc/15/22/03/1072152203.db2.gz QEFZZPQVIJJUFK-INIZCTEOSA-N 2 0 381.521 -0.448 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000579805992 1072152218 /nfs/dbraw/zinc/15/22/18/1072152218.db2.gz QEFZZPQVIJJUFK-MRXNPFEDSA-N 2 0 381.521 -0.448 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000579869965 1072224499 /nfs/dbraw/zinc/22/44/99/1072224499.db2.gz ARSHQAYFJUVEEG-HNNXBMFYSA-N 2 0 381.521 -0.367 20 0 GBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000579869966 1072224362 /nfs/dbraw/zinc/22/43/62/1072224362.db2.gz ARSHQAYFJUVEEG-OAHLLOKOSA-N 2 0 381.521 -0.367 20 0 GBADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000579931146 1072300871 /nfs/dbraw/zinc/30/08/71/1072300871.db2.gz IXMANCYURYIWRS-UHFFFAOYSA-N 2 0 388.516 -0.070 20 0 GBADRP O=C(CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000579932294 1072301669 /nfs/dbraw/zinc/30/16/69/1072301669.db2.gz GJGOVHYMDHFSTJ-IBGZPJMESA-N 2 0 375.473 -0.646 20 0 GBADRP O=C(CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000579932295 1072301779 /nfs/dbraw/zinc/30/17/79/1072301779.db2.gz GJGOVHYMDHFSTJ-LJQANCHMSA-N 2 0 375.473 -0.646 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000579956188 1072326543 /nfs/dbraw/zinc/32/65/43/1072326543.db2.gz FCIBXMHJNPDUBL-UHFFFAOYSA-N 2 0 376.505 -0.026 20 0 GBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000579960914 1072328949 /nfs/dbraw/zinc/32/89/49/1072328949.db2.gz UCGHYCZTRMKZIV-KRWDZBQOSA-N 2 0 384.502 -0.045 20 0 GBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000579960915 1072329362 /nfs/dbraw/zinc/32/93/62/1072329362.db2.gz UCGHYCZTRMKZIV-QGZVFWFLSA-N 2 0 384.502 -0.045 20 0 GBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973690 1072337159 /nfs/dbraw/zinc/33/71/59/1072337159.db2.gz HONRPMRAVFUKBX-CVEARBPZSA-N 2 0 377.489 -0.720 20 0 GBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973691 1072337213 /nfs/dbraw/zinc/33/72/13/1072337213.db2.gz HONRPMRAVFUKBX-HOTGVXAUSA-N 2 0 377.489 -0.720 20 0 GBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973692 1072337314 /nfs/dbraw/zinc/33/73/14/1072337314.db2.gz HONRPMRAVFUKBX-HZPDHXFCSA-N 2 0 377.489 -0.720 20 0 GBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)CCN2C1=O ZINC000579973693 1072337556 /nfs/dbraw/zinc/33/75/56/1072337556.db2.gz HONRPMRAVFUKBX-JKSUJKDBSA-N 2 0 377.489 -0.720 20 0 GBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990210 1072343801 /nfs/dbraw/zinc/34/38/01/1072343801.db2.gz RYZJMNBZQYWYCS-DLBZAZTESA-N 2 0 395.548 -0.107 20 0 GBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000579990211 1072343700 /nfs/dbraw/zinc/34/37/00/1072343700.db2.gz RYZJMNBZQYWYCS-IAGOWNOFSA-N 2 0 395.548 -0.107 20 0 GBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990212 1072343925 /nfs/dbraw/zinc/34/39/25/1072343925.db2.gz RYZJMNBZQYWYCS-IRXDYDNUSA-N 2 0 395.548 -0.107 20 0 GBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000579990213 1072343554 /nfs/dbraw/zinc/34/35/54/1072343554.db2.gz RYZJMNBZQYWYCS-SJORKVTESA-N 2 0 395.548 -0.107 20 0 GBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000580106583 1072986081 /nfs/dbraw/zinc/98/60/81/1072986081.db2.gz WVGGFFWMMXGVKG-KRWDZBQOSA-N 2 0 395.548 -0.072 20 0 GBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000580106584 1072422511 /nfs/dbraw/zinc/42/25/11/1072422511.db2.gz WVGGFFWMMXGVKG-QGZVFWFLSA-N 2 0 395.548 -0.072 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000580203292 530130967 /nfs/dbraw/zinc/13/09/67/530130967.db2.gz BQASXUNNBZTACD-HNNXBMFYSA-N 2 0 377.555 -0.065 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000580203294 530131261 /nfs/dbraw/zinc/13/12/61/530131261.db2.gz BQASXUNNBZTACD-OAHLLOKOSA-N 2 0 377.555 -0.065 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580215419 1072436871 /nfs/dbraw/zinc/43/68/71/1072436871.db2.gz DYQQOHAIGPREQR-GDBMZVCRSA-N 2 0 393.532 -0.165 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580215420 1072437149 /nfs/dbraw/zinc/43/71/49/1072437149.db2.gz DYQQOHAIGPREQR-GOEBONIOSA-N 2 0 393.532 -0.165 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580215421 1072436819 /nfs/dbraw/zinc/43/68/19/1072436819.db2.gz DYQQOHAIGPREQR-HOCLYGCPSA-N 2 0 393.532 -0.165 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580215422 1072436916 /nfs/dbraw/zinc/43/69/16/1072436916.db2.gz DYQQOHAIGPREQR-ZBFHGGJFSA-N 2 0 393.532 -0.165 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000580222493 1072437735 /nfs/dbraw/zinc/43/77/35/1072437735.db2.gz AWUTYQIGNIHEBN-KRWDZBQOSA-N 2 0 395.548 -0.153 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000580222495 1072437900 /nfs/dbraw/zinc/43/79/00/1072437900.db2.gz AWUTYQIGNIHEBN-QGZVFWFLSA-N 2 0 395.548 -0.153 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000580330365 1072445576 /nfs/dbraw/zinc/44/55/76/1072445576.db2.gz HOAPJJNRUSPSTE-AWEZNQCLSA-N 2 0 381.521 -0.308 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000580330366 1072445974 /nfs/dbraw/zinc/44/59/74/1072445974.db2.gz HOAPJJNRUSPSTE-CQSZACIVSA-N 2 0 381.521 -0.308 20 0 GBADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416154 1072460155 /nfs/dbraw/zinc/46/01/55/1072460155.db2.gz YXUHISMLUXTQBH-BRWVUGGUSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416155 1072460184 /nfs/dbraw/zinc/46/01/84/1072460184.db2.gz YXUHISMLUXTQBH-IKGGRYGDSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416156 1072460057 /nfs/dbraw/zinc/46/00/57/1072460057.db2.gz YXUHISMLUXTQBH-IXDOHACOSA-N 2 0 395.548 -0.073 20 0 GBADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000580416157 1072460136 /nfs/dbraw/zinc/46/01/36/1072460136.db2.gz YXUHISMLUXTQBH-ZACQAIPSSA-N 2 0 395.548 -0.073 20 0 GBADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)C[C@@H]1O ZINC000580447814 1072462562 /nfs/dbraw/zinc/46/25/62/1072462562.db2.gz SHYMDXUXRIVRNG-QQCJEOGWSA-N 2 0 396.532 -0.941 20 0 GBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000580471395 1072465319 /nfs/dbraw/zinc/46/53/19/1072465319.db2.gz QJLRTTZQCXWGFT-UHFFFAOYSA-N 2 0 397.564 -0.443 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580476631 1072465196 /nfs/dbraw/zinc/46/51/96/1072465196.db2.gz ASUVYDJBDZNCJG-FGTMMUONSA-N 2 0 396.532 -0.293 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580476632 1072465269 /nfs/dbraw/zinc/46/52/69/1072465269.db2.gz ASUVYDJBDZNCJG-KURKYZTESA-N 2 0 396.532 -0.293 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580476633 1072465214 /nfs/dbraw/zinc/46/52/14/1072465214.db2.gz ASUVYDJBDZNCJG-KZNAEPCWSA-N 2 0 396.532 -0.293 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580476634 1072465288 /nfs/dbraw/zinc/46/52/88/1072465288.db2.gz ASUVYDJBDZNCJG-SQNIBIBYSA-N 2 0 396.532 -0.293 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580631220 1072477733 /nfs/dbraw/zinc/47/77/33/1072477733.db2.gz TYJBYRQEYSANGH-CVEARBPZSA-N 2 0 393.532 -0.260 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580631221 1072477501 /nfs/dbraw/zinc/47/75/01/1072477501.db2.gz TYJBYRQEYSANGH-HOTGVXAUSA-N 2 0 393.532 -0.260 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580631222 1072477400 /nfs/dbraw/zinc/47/74/00/1072477400.db2.gz TYJBYRQEYSANGH-HZPDHXFCSA-N 2 0 393.532 -0.260 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000580631223 1072477248 /nfs/dbraw/zinc/47/72/48/1072477248.db2.gz TYJBYRQEYSANGH-JKSUJKDBSA-N 2 0 393.532 -0.260 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000580659275 1072478379 /nfs/dbraw/zinc/47/83/79/1072478379.db2.gz JDCMLEOEUYERES-DJIMGWMZSA-N 2 0 387.484 -0.607 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000580659281 1072478433 /nfs/dbraw/zinc/47/84/33/1072478433.db2.gz JDCMLEOEUYERES-HYVNUMGLSA-N 2 0 387.484 -0.607 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000580659282 1072479441 /nfs/dbraw/zinc/47/94/41/1072479441.db2.gz JDCMLEOEUYERES-OIISXLGYSA-N 2 0 387.484 -0.607 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000580659283 1072479376 /nfs/dbraw/zinc/47/93/76/1072479376.db2.gz JDCMLEOEUYERES-PVAVHDDUSA-N 2 0 387.484 -0.607 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580700437 1072481237 /nfs/dbraw/zinc/48/12/37/1072481237.db2.gz HIJLHELXNHWTTD-DLBZAZTESA-N 2 0 391.516 -0.552 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580700438 1072481575 /nfs/dbraw/zinc/48/15/75/1072481575.db2.gz HIJLHELXNHWTTD-IAGOWNOFSA-N 2 0 391.516 -0.552 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000580700439 1072481215 /nfs/dbraw/zinc/48/12/15/1072481215.db2.gz HIJLHELXNHWTTD-IRXDYDNUSA-N 2 0 391.516 -0.552 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000580700440 1072481400 /nfs/dbraw/zinc/48/14/00/1072481400.db2.gz HIJLHELXNHWTTD-SJORKVTESA-N 2 0 391.516 -0.552 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000580760083 1072493074 /nfs/dbraw/zinc/49/30/74/1072493074.db2.gz LMVPAGBTBLUODI-HNNXBMFYSA-N 2 0 382.509 -0.999 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000580760085 1072493120 /nfs/dbraw/zinc/49/31/20/1072493120.db2.gz LMVPAGBTBLUODI-OAHLLOKOSA-N 2 0 382.509 -0.999 20 0 GBADRP CCC(CC)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000580764553 1072494338 /nfs/dbraw/zinc/49/43/38/1072494338.db2.gz ASMRGIOMSWAHEY-INIZCTEOSA-N 2 0 381.521 -0.449 20 0 GBADRP CCC(CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000580764554 1072494075 /nfs/dbraw/zinc/49/40/75/1072494075.db2.gz ASMRGIOMSWAHEY-MRXNPFEDSA-N 2 0 381.521 -0.449 20 0 GBADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000580823784 1072503749 /nfs/dbraw/zinc/50/37/49/1072503749.db2.gz XNYZRTWRNJAIHG-UHFFFAOYSA-N 2 0 393.532 -0.306 20 0 GBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000580904230 1072511766 /nfs/dbraw/zinc/51/17/66/1072511766.db2.gz HWHMFVPELQCYJA-FGTMMUONSA-N 2 0 399.495 -0.462 20 0 GBADRP 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C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]2(CCCOC2)O1 ZINC000581117534 1072538342 /nfs/dbraw/zinc/53/83/42/1072538342.db2.gz ZXQBDIJFZOBQNF-QFBILLFUSA-N 2 0 384.521 -0.265 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]2(CCCOC2)O1 ZINC000581117535 1072538238 /nfs/dbraw/zinc/53/82/38/1072538238.db2.gz ZXQBDIJFZOBQNF-VQIMIIECSA-N 2 0 384.521 -0.265 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000581117596 1072538373 /nfs/dbraw/zinc/53/83/73/1072538373.db2.gz PBMGVTVJLAGDDR-KRWDZBQOSA-N 2 0 391.472 -0.198 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000581117597 1072538062 /nfs/dbraw/zinc/53/80/62/1072538062.db2.gz PBMGVTVJLAGDDR-QGZVFWFLSA-N 2 0 391.472 -0.198 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000581129614 1072539686 /nfs/dbraw/zinc/53/96/86/1072539686.db2.gz XQADUFNLKPDQGO-INIZCTEOSA-N 2 0 375.473 -0.538 20 0 GBADRP 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C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000581440573 1072587304 /nfs/dbraw/zinc/58/73/04/1072587304.db2.gz LMHQOGVDUGCNEB-BZUAXINKSA-N 2 0 379.505 -0.615 20 0 GBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000581440574 1072586796 /nfs/dbraw/zinc/58/67/96/1072586796.db2.gz LMHQOGVDUGCNEB-OAGGEKHMSA-N 2 0 379.505 -0.615 20 0 GBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000581440575 1072587009 /nfs/dbraw/zinc/58/70/09/1072587009.db2.gz LMHQOGVDUGCNEB-OWCLPIDISA-N 2 0 379.505 -0.615 20 0 GBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000581440576 1072586739 /nfs/dbraw/zinc/58/67/39/1072586739.db2.gz LMHQOGVDUGCNEB-PMPSAXMXSA-N 2 0 379.505 -0.615 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000581440585 1072586544 /nfs/dbraw/zinc/58/65/44/1072586544.db2.gz MBDNDCFGHBIXCZ-OAHLLOKOSA-N 2 0 383.537 -0.060 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000581474894 1072592911 /nfs/dbraw/zinc/59/29/11/1072592911.db2.gz SULKPRAFJQJQMJ-BRWVUGGUSA-N 2 0 391.516 -0.696 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000581474895 1072593311 /nfs/dbraw/zinc/59/33/11/1072593311.db2.gz SULKPRAFJQJQMJ-IKGGRYGDSA-N 2 0 391.516 -0.696 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000581474896 1072593111 /nfs/dbraw/zinc/59/31/11/1072593111.db2.gz SULKPRAFJQJQMJ-IXDOHACOSA-N 2 0 391.516 -0.696 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000581474897 1072592714 /nfs/dbraw/zinc/59/27/14/1072592714.db2.gz SULKPRAFJQJQMJ-ZACQAIPSSA-N 2 0 391.516 -0.696 20 0 GBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCSC1 ZINC000581478958 1072596730 /nfs/dbraw/zinc/59/67/30/1072596730.db2.gz FRVXOVJTQFVKKP-VCBZYWHSSA-N 2 0 396.557 -0.233 20 0 GBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCSC1 ZINC000581478959 1072596616 /nfs/dbraw/zinc/59/66/16/1072596616.db2.gz FRVXOVJTQFVKKP-ZRGWGRIASA-N 2 0 396.557 -0.233 20 0 GBADRP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000581603595 1072611887 /nfs/dbraw/zinc/61/18/87/1072611887.db2.gz GTBYLDFCGDGCHY-DLBZAZTESA-N 2 0 384.546 -0.059 20 0 GBADRP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000581603596 1072611538 /nfs/dbraw/zinc/61/15/38/1072611538.db2.gz GTBYLDFCGDGCHY-IAGOWNOFSA-N 2 0 384.546 -0.059 20 0 GBADRP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000581603597 1072612049 /nfs/dbraw/zinc/61/20/49/1072612049.db2.gz GTBYLDFCGDGCHY-IRXDYDNUSA-N 2 0 384.546 -0.059 20 0 GBADRP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000581603598 1072611609 /nfs/dbraw/zinc/61/16/09/1072611609.db2.gz GTBYLDFCGDGCHY-SJORKVTESA-N 2 0 384.546 -0.059 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000581670209 1072625450 /nfs/dbraw/zinc/62/54/50/1072625450.db2.gz VNWWCHIAFGQYLE-MSOLQXFVSA-N 2 0 395.548 -0.563 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000581670210 1072625888 /nfs/dbraw/zinc/62/58/88/1072625888.db2.gz VNWWCHIAFGQYLE-QZTJIDSGSA-N 2 0 395.548 -0.563 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000581670211 1072625825 /nfs/dbraw/zinc/62/58/25/1072625825.db2.gz VNWWCHIAFGQYLE-ROUUACIJSA-N 2 0 395.548 -0.563 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000581670212 1072625907 /nfs/dbraw/zinc/62/59/07/1072625907.db2.gz VNWWCHIAFGQYLE-ZWKOTPCHSA-N 2 0 395.548 -0.563 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000581695536 1072157183 /nfs/dbraw/zinc/15/71/83/1072157183.db2.gz OOFXMBHIHBQVKB-CVEARBPZSA-N 2 0 381.521 -0.402 20 0 GBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000581695537 1072157206 /nfs/dbraw/zinc/15/72/06/1072157206.db2.gz OOFXMBHIHBQVKB-HZPDHXFCSA-N 2 0 381.521 -0.402 20 0 GBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581720612 1072161155 /nfs/dbraw/zinc/16/11/55/1072161155.db2.gz XWTFHYIXEABLDS-GOSISDBHSA-N 2 0 397.564 -0.315 20 0 GBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581720613 1072161283 /nfs/dbraw/zinc/16/12/83/1072161283.db2.gz XWTFHYIXEABLDS-SFHVURJKSA-N 2 0 397.564 -0.315 20 0 GBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581824528 1072174376 /nfs/dbraw/zinc/17/43/76/1072174376.db2.gz OFVPRWWQRPCPAT-INIZCTEOSA-N 2 0 384.550 -0.270 20 0 GBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000581824529 1072174678 /nfs/dbraw/zinc/17/46/78/1072174678.db2.gz OFVPRWWQRPCPAT-MRXNPFEDSA-N 2 0 384.550 -0.270 20 0 GBADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581883241 1072186003 /nfs/dbraw/zinc/18/60/03/1072186003.db2.gz SZEGJNJOJLBUJG-CABCVRRESA-N 2 0 375.477 -0.686 20 0 GBADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581883242 1072185952 /nfs/dbraw/zinc/18/59/52/1072185952.db2.gz SZEGJNJOJLBUJG-GJZGRUSLSA-N 2 0 375.477 -0.686 20 0 GBADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581883243 1072185998 /nfs/dbraw/zinc/18/59/98/1072185998.db2.gz SZEGJNJOJLBUJG-HUUCEWRRSA-N 2 0 375.477 -0.686 20 0 GBADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581883244 1072185964 /nfs/dbraw/zinc/18/59/64/1072185964.db2.gz SZEGJNJOJLBUJG-LSDHHAIUSA-N 2 0 375.477 -0.686 20 0 GBADRP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(=O)n(C)c1=O ZINC000582003243 1072249996 /nfs/dbraw/zinc/24/99/96/1072249996.db2.gz BUYXRODNDULXRH-OKILXGFUSA-N 2 0 377.489 -0.101 20 0 GBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000582076974 1072310137 /nfs/dbraw/zinc/31/01/37/1072310137.db2.gz ORDWYIFZAXFUFM-UHFFFAOYSA-N 2 0 393.532 -0.399 20 0 GBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000582077221 1072309874 /nfs/dbraw/zinc/30/98/74/1072309874.db2.gz YPHIDERDUOHBGV-AEFFLSMTSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000582077222 1073286190 /nfs/dbraw/zinc/28/61/90/1073286190.db2.gz YPHIDERDUOHBGV-FUHWJXTLSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000582077223 1072309970 /nfs/dbraw/zinc/30/99/70/1072309970.db2.gz YPHIDERDUOHBGV-SJLPKXTDSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000582077224 1072310323 /nfs/dbraw/zinc/31/03/23/1072310323.db2.gz YPHIDERDUOHBGV-WMZOPIPTSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000582077931 1073287010 /nfs/dbraw/zinc/28/70/10/1073287010.db2.gz PKMXESHOORUPPQ-UHFFFAOYSA-N 2 0 395.548 -0.107 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000582083229 1072310780 /nfs/dbraw/zinc/31/07/80/1072310780.db2.gz NKVKKWBQDXYMQW-HNNXBMFYSA-N 2 0 394.495 -0.133 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000582083230 1072311113 /nfs/dbraw/zinc/31/11/13/1072311113.db2.gz NKVKKWBQDXYMQW-OAHLLOKOSA-N 2 0 394.495 -0.133 20 0 GBADRP CN1CCN(C(=O)CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000582179114 1072322154 /nfs/dbraw/zinc/32/21/54/1072322154.db2.gz KQVJNSZKWISHIV-INIZCTEOSA-N 2 0 379.505 -0.743 20 0 GBADRP CN1CCN(C(=O)CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000582179115 1072322091 /nfs/dbraw/zinc/32/20/91/1072322091.db2.gz KQVJNSZKWISHIV-MRXNPFEDSA-N 2 0 379.505 -0.743 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000582193169 1072324346 /nfs/dbraw/zinc/32/43/46/1072324346.db2.gz RXWNVAYUVOJXHS-IRXDYDNUSA-N 2 0 387.484 -0.522 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)C1 ZINC000582193170 1072324068 /nfs/dbraw/zinc/32/40/68/1072324068.db2.gz RXWNVAYUVOJXHS-SJORKVTESA-N 2 0 387.484 -0.522 20 0 GBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000582202085 1073319637 /nfs/dbraw/zinc/31/96/37/1073319637.db2.gz TZIRAEDJTHIPOC-UHFFFAOYSA-N 2 0 381.521 -0.399 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000582287141 1072333554 /nfs/dbraw/zinc/33/35/54/1072333554.db2.gz XIOXGVIAPJBZJJ-UHFFFAOYSA-N 3 0 397.564 -0.491 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000582356398 1072340922 /nfs/dbraw/zinc/34/09/22/1072340922.db2.gz SESYXJPSRGJNPM-GOSISDBHSA-N 2 0 382.530 -0.076 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000582356399 1072340533 /nfs/dbraw/zinc/34/05/33/1072340533.db2.gz SESYXJPSRGJNPM-SFHVURJKSA-N 2 0 382.530 -0.076 20 0 GBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@H](C[NH3+])C3(C1)CCOCC3)c(=O)n2C ZINC000582363159 1072341852 /nfs/dbraw/zinc/34/18/52/1072341852.db2.gz LEAATAHBOWNCNB-AWEZNQCLSA-N 2 0 390.488 -0.489 20 0 GBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H](C[NH3+])C3(C1)CCOCC3)c(=O)n2C ZINC000582363160 1072341736 /nfs/dbraw/zinc/34/17/36/1072341736.db2.gz LEAATAHBOWNCNB-CQSZACIVSA-N 2 0 390.488 -0.489 20 0 GBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000582376366 1072343725 /nfs/dbraw/zinc/34/37/25/1072343725.db2.gz MUNDSNQNDWZXFB-UHFFFAOYSA-N 2 0 397.564 -0.302 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000582417424 1072351162 /nfs/dbraw/zinc/35/11/62/1072351162.db2.gz AIYAOFJVCASWJK-KRWDZBQOSA-N 2 0 389.500 -0.148 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000582417425 1072351630 /nfs/dbraw/zinc/35/16/30/1072351630.db2.gz AIYAOFJVCASWJK-QGZVFWFLSA-N 2 0 389.500 -0.148 20 0 GBADRP O=C(CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000582476510 1072359832 /nfs/dbraw/zinc/35/98/32/1072359832.db2.gz FBLKICLNJSGWKZ-KRWDZBQOSA-N 2 0 387.484 -0.685 20 0 GBADRP O=C(CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000582476511 1072360003 /nfs/dbraw/zinc/36/00/03/1072360003.db2.gz FBLKICLNJSGWKZ-QGZVFWFLSA-N 2 0 387.484 -0.685 20 0 GBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000582507940 1072363017 /nfs/dbraw/zinc/36/30/17/1072363017.db2.gz FIZOXNBTLUBYDS-KRWDZBQOSA-N 2 0 398.548 -0.091 20 0 GBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([NH+](C)CCCO)CC2)CCCO1 ZINC000582507941 1072363692 /nfs/dbraw/zinc/36/36/92/1072363692.db2.gz FIZOXNBTLUBYDS-QGZVFWFLSA-N 2 0 398.548 -0.091 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000582558029 1072367492 /nfs/dbraw/zinc/36/74/92/1072367492.db2.gz CKUFXCWVWXXXPY-UHFFFAOYSA-N 2 0 383.537 -0.108 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000582564062 1072368176 /nfs/dbraw/zinc/36/81/76/1072368176.db2.gz HPNRVTKLRLYTRY-KRWDZBQOSA-N 2 0 389.500 -0.140 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000582564063 1072368239 /nfs/dbraw/zinc/36/82/39/1072368239.db2.gz HPNRVTKLRLYTRY-QGZVFWFLSA-N 2 0 389.500 -0.140 20 0 GBADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582606791 1072372955 /nfs/dbraw/zinc/37/29/55/1072372955.db2.gz WWESMHLZYSZURC-INIZCTEOSA-N 2 0 380.489 -0.458 20 0 GBADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000582606792 1072373005 /nfs/dbraw/zinc/37/30/05/1072373005.db2.gz WWESMHLZYSZURC-MRXNPFEDSA-N 2 0 380.489 -0.458 20 0 GBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582656384 1072382182 /nfs/dbraw/zinc/38/21/82/1072382182.db2.gz FYZIHNGNUKNJCA-UHFFFAOYSA-N 2 0 381.502 -0.814 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000582656408 1072381810 /nfs/dbraw/zinc/38/18/10/1072381810.db2.gz KQAFYSWUDBEIQO-HNNXBMFYSA-N 2 0 379.436 -0.907 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000582656409 1072382257 /nfs/dbraw/zinc/38/22/57/1072382257.db2.gz KQAFYSWUDBEIQO-OAHLLOKOSA-N 2 0 379.436 -0.907 20 0 GBADRP Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000582700497 1072388190 /nfs/dbraw/zinc/38/81/90/1072388190.db2.gz NYUUYDLMOOBHAE-WBVHZDCISA-N 2 0 379.509 -0.125 20 0 GBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000582711569 1072390183 /nfs/dbraw/zinc/39/01/83/1072390183.db2.gz BUZPURZCESLUQA-APWZRJJASA-N 2 0 384.521 -0.265 20 0 GBADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000582711570 1072390395 /nfs/dbraw/zinc/39/03/95/1072390395.db2.gz BUZPURZCESLUQA-LPHOPBHVSA-N 2 0 384.521 -0.265 20 0 GBADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000582711571 1072390281 /nfs/dbraw/zinc/39/02/81/1072390281.db2.gz BUZPURZCESLUQA-QFBILLFUSA-N 2 0 384.521 -0.265 20 0 GBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000582711572 1072390411 /nfs/dbraw/zinc/39/04/11/1072390411.db2.gz BUZPURZCESLUQA-VQIMIIECSA-N 2 0 384.521 -0.265 20 0 GBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737510 1072394708 /nfs/dbraw/zinc/39/47/08/1072394708.db2.gz FSIOFHFHAUKKAZ-FGTMMUONSA-N 2 0 399.495 -0.605 20 0 GBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737511 1072394904 /nfs/dbraw/zinc/39/49/04/1072394904.db2.gz FSIOFHFHAUKKAZ-KZNAEPCWSA-N 2 0 399.495 -0.605 20 0 GBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737512 1072395298 /nfs/dbraw/zinc/39/52/98/1072395298.db2.gz FSIOFHFHAUKKAZ-OKZBNKHCSA-N 2 0 399.495 -0.605 20 0 GBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000582737513 1072394943 /nfs/dbraw/zinc/39/49/43/1072394943.db2.gz FSIOFHFHAUKKAZ-RCCFBDPRSA-N 2 0 399.495 -0.605 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582782747 1072399788 /nfs/dbraw/zinc/39/97/88/1072399788.db2.gz AVGNKFFXWOSBRF-GDBMZVCRSA-N 2 0 377.493 -0.297 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582782748 1072399140 /nfs/dbraw/zinc/39/91/40/1072399140.db2.gz AVGNKFFXWOSBRF-GOEBONIOSA-N 2 0 377.493 -0.297 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582782749 1072399712 /nfs/dbraw/zinc/39/97/12/1072399712.db2.gz AVGNKFFXWOSBRF-HOCLYGCPSA-N 2 0 377.493 -0.297 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582782750 1072399287 /nfs/dbraw/zinc/39/92/87/1072399287.db2.gz AVGNKFFXWOSBRF-ZBFHGGJFSA-N 2 0 377.493 -0.297 20 0 GBADRP [NH3+]CCCn1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000582783229 1072399266 /nfs/dbraw/zinc/39/92/66/1072399266.db2.gz UWJMYKXDOHKWPM-UHFFFAOYSA-N 2 0 387.492 -0.251 20 0 GBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000582835790 1072406785 /nfs/dbraw/zinc/40/67/85/1072406785.db2.gz GURTUGKXNAUWGG-BBWFWOEESA-N 2 0 383.537 -0.659 20 0 GBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](C)C1 ZINC000582835791 1072406845 /nfs/dbraw/zinc/40/68/45/1072406845.db2.gz GURTUGKXNAUWGG-IKGGRYGDSA-N 2 0 383.537 -0.659 20 0 GBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000582835792 1072406409 /nfs/dbraw/zinc/40/64/09/1072406409.db2.gz GURTUGKXNAUWGG-ULQDDVLXSA-N 2 0 383.537 -0.659 20 0 GBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000582835793 1072406792 /nfs/dbraw/zinc/40/67/92/1072406792.db2.gz GURTUGKXNAUWGG-ZACQAIPSSA-N 2 0 383.537 -0.659 20 0 GBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000582926019 1072416762 /nfs/dbraw/zinc/41/67/62/1072416762.db2.gz CGEICZHUUUEJTC-GOSISDBHSA-N 2 0 397.564 -0.301 20 0 GBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000582926020 1072416603 /nfs/dbraw/zinc/41/66/03/1072416603.db2.gz CGEICZHUUUEJTC-SFHVURJKSA-N 2 0 397.564 -0.301 20 0 GBADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582944635 1072419386 /nfs/dbraw/zinc/41/93/86/1072419386.db2.gz QCTFUDUKALVWFR-DOTOQJQBSA-N 2 0 394.516 -0.022 20 0 GBADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582944636 1072418634 /nfs/dbraw/zinc/41/86/34/1072418634.db2.gz QCTFUDUKALVWFR-NVXWUHKLSA-N 2 0 394.516 -0.022 20 0 GBADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582944637 1072418526 /nfs/dbraw/zinc/41/85/26/1072418526.db2.gz QCTFUDUKALVWFR-RDJZCZTQSA-N 2 0 394.516 -0.022 20 0 GBADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582944638 1072418683 /nfs/dbraw/zinc/41/86/83/1072418683.db2.gz QCTFUDUKALVWFR-WBVHZDCISA-N 2 0 394.516 -0.022 20 0 GBADRP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583010373 1072423660 /nfs/dbraw/zinc/42/36/60/1072423660.db2.gz GGDIITHGVAHDTC-UHFFFAOYSA-N 2 0 385.553 -0.493 20 0 GBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000583075735 1072430720 /nfs/dbraw/zinc/43/07/20/1072430720.db2.gz XQUUYZAEGJKXOL-UHFFFAOYSA-N 2 0 395.548 -0.010 20 0 GBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000583189957 1072440185 /nfs/dbraw/zinc/44/01/85/1072440185.db2.gz NRSGHWVNZASBRG-CVEARBPZSA-N 2 0 379.505 -0.839 20 0 GBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000583189958 1072440477 /nfs/dbraw/zinc/44/04/77/1072440477.db2.gz NRSGHWVNZASBRG-HOTGVXAUSA-N 2 0 379.505 -0.839 20 0 GBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000583189959 1072440407 /nfs/dbraw/zinc/44/04/07/1072440407.db2.gz NRSGHWVNZASBRG-HZPDHXFCSA-N 2 0 379.505 -0.839 20 0 GBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000583189960 1072440347 /nfs/dbraw/zinc/44/03/47/1072440347.db2.gz NRSGHWVNZASBRG-JKSUJKDBSA-N 2 0 379.505 -0.839 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC1 ZINC000583189984 1072440235 /nfs/dbraw/zinc/44/02/35/1072440235.db2.gz TUFSKDXMSSJMBB-KRWDZBQOSA-N 2 0 393.532 -0.306 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC1 ZINC000583189985 1072440125 /nfs/dbraw/zinc/44/01/25/1072440125.db2.gz TUFSKDXMSSJMBB-QGZVFWFLSA-N 2 0 393.532 -0.306 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000583204889 1072442224 /nfs/dbraw/zinc/44/22/24/1072442224.db2.gz AJVDUNRGBLXQRE-AAWZQNATSA-N 3 0 389.544 -0.508 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000583204890 1072442549 /nfs/dbraw/zinc/44/25/49/1072442549.db2.gz AJVDUNRGBLXQRE-IVPXXNPKSA-N 3 0 389.544 -0.508 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583204891 1072442494 /nfs/dbraw/zinc/44/24/94/1072442494.db2.gz AJVDUNRGBLXQRE-PDOZGGDVSA-N 3 0 389.544 -0.508 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583204892 1072442500 /nfs/dbraw/zinc/44/25/00/1072442500.db2.gz AJVDUNRGBLXQRE-ZIKOTGLESA-N 3 0 389.544 -0.508 20 0 GBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000583280299 1072450138 /nfs/dbraw/zinc/45/01/38/1072450138.db2.gz PFZYUOJKSXIXJE-INIZCTEOSA-N 2 0 381.521 -0.890 20 0 GBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000583280300 1072450161 /nfs/dbraw/zinc/45/01/61/1072450161.db2.gz PFZYUOJKSXIXJE-MRXNPFEDSA-N 2 0 381.521 -0.890 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583323313 1072453027 /nfs/dbraw/zinc/45/30/27/1072453027.db2.gz LVHDLSBITTWKJC-NJDAHSKKSA-N 3 0 389.544 -0.220 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583323314 1072453073 /nfs/dbraw/zinc/45/30/73/1072453073.db2.gz LVHDLSBITTWKJC-PCCBWWKXSA-N 3 0 389.544 -0.220 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583323315 1072453220 /nfs/dbraw/zinc/45/32/20/1072453220.db2.gz LVHDLSBITTWKJC-PWRODBHTSA-N 3 0 389.544 -0.220 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583323316 1072453086 /nfs/dbraw/zinc/45/30/86/1072453086.db2.gz LVHDLSBITTWKJC-QHAWAJNXSA-N 3 0 389.544 -0.220 20 0 GBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCO1 ZINC000583328582 1072453095 /nfs/dbraw/zinc/45/30/95/1072453095.db2.gz RQIOHDPNDCYPOS-KRWDZBQOSA-N 2 0 384.521 -0.168 20 0 GBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCO1 ZINC000583328583 1072453129 /nfs/dbraw/zinc/45/31/29/1072453129.db2.gz RQIOHDPNDCYPOS-QGZVFWFLSA-N 2 0 384.521 -0.168 20 0 GBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000583328953 1072453142 /nfs/dbraw/zinc/45/31/42/1072453142.db2.gz OUBGJWYJGGUTBF-UHFFFAOYSA-N 2 0 384.521 -0.480 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000583336778 1072453609 /nfs/dbraw/zinc/45/36/09/1072453609.db2.gz BEIGIHZCHYJGEK-KRWDZBQOSA-N 2 0 393.532 -0.399 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000583336779 1072454041 /nfs/dbraw/zinc/45/40/41/1072454041.db2.gz BEIGIHZCHYJGEK-QGZVFWFLSA-N 2 0 393.532 -0.399 20 0 GBADRP CN1CCN(C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000583371673 1072456295 /nfs/dbraw/zinc/45/62/95/1072456295.db2.gz VENMVOMVAOYHFI-GOSISDBHSA-N 2 0 389.500 -0.764 20 0 GBADRP CN1CCN(C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000583371674 1072456274 /nfs/dbraw/zinc/45/62/74/1072456274.db2.gz VENMVOMVAOYHFI-SFHVURJKSA-N 2 0 389.500 -0.764 20 0 GBADRP C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550901 1072473176 /nfs/dbraw/zinc/47/31/76/1072473176.db2.gz LNJYPLSGJXHEQS-GJYPPUQNSA-N 2 0 384.521 -0.267 20 0 GBADRP C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550902 1072473344 /nfs/dbraw/zinc/47/33/44/1072473344.db2.gz LNJYPLSGJXHEQS-GPMSIDNRSA-N 2 0 384.521 -0.267 20 0 GBADRP C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550903 1072473422 /nfs/dbraw/zinc/47/34/22/1072473422.db2.gz LNJYPLSGJXHEQS-JTDSTZFVSA-N 2 0 384.521 -0.267 20 0 GBADRP C[C@H]1OCC[C@]12CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O2 ZINC000583550904 1072473440 /nfs/dbraw/zinc/47/34/40/1072473440.db2.gz LNJYPLSGJXHEQS-MDZRGWNJSA-N 2 0 384.521 -0.267 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000583615687 1072481774 /nfs/dbraw/zinc/48/17/74/1072481774.db2.gz DMWRRVBZJWALTL-BEFAXECRSA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000583615688 1072482171 /nfs/dbraw/zinc/48/21/71/1072482171.db2.gz DMWRRVBZJWALTL-DNVCBOLYSA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000583615689 1072481723 /nfs/dbraw/zinc/48/17/23/1072481723.db2.gz DMWRRVBZJWALTL-HNAYVOBHSA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000583615690 1072481922 /nfs/dbraw/zinc/48/19/22/1072481922.db2.gz DMWRRVBZJWALTL-KXBFYZLASA-N 2 0 379.505 -0.743 20 0 GBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000583642681 1072486529 /nfs/dbraw/zinc/48/65/29/1072486529.db2.gz QFDNKSCRCFTMIK-NCOADZHNSA-N 2 0 385.468 -0.682 20 0 GBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H]1c1ccccc1 ZINC000583642682 1072486672 /nfs/dbraw/zinc/48/66/72/1072486672.db2.gz QFDNKSCRCFTMIK-VVLHAWIVSA-N 2 0 385.468 -0.682 20 0 GBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000583642683 1072486642 /nfs/dbraw/zinc/48/66/42/1072486642.db2.gz QFDNKSCRCFTMIK-WCXIOVBPSA-N 2 0 385.468 -0.682 20 0 GBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000583642684 1072486914 /nfs/dbraw/zinc/48/69/14/1072486914.db2.gz QFDNKSCRCFTMIK-YVSFHVDLSA-N 2 0 385.468 -0.682 20 0 GBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000583759034 1072501194 /nfs/dbraw/zinc/50/11/94/1072501194.db2.gz KFKYEIMGVUQMEE-KRWDZBQOSA-N 2 0 397.564 -0.397 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000583759035 1072500897 /nfs/dbraw/zinc/50/08/97/1072500897.db2.gz KFKYEIMGVUQMEE-QGZVFWFLSA-N 2 0 397.564 -0.397 20 0 GBADRP C[NH+](C)CCn1c2cc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)ccc2oc1=O ZINC000583810061 1072506032 /nfs/dbraw/zinc/50/60/32/1072506032.db2.gz UATATIOZNJBOOQ-CYBMUJFWSA-N 2 0 375.429 -0.037 20 0 GBADRP C[NH+](C)CCn1c2cc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)ccc2oc1=O ZINC000583810062 1072506121 /nfs/dbraw/zinc/50/61/21/1072506121.db2.gz UATATIOZNJBOOQ-ZDUSSCGKSA-N 2 0 375.429 -0.037 20 0 GBADRP C[C@@H](CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000583821129 1072506862 /nfs/dbraw/zinc/50/68/62/1072506862.db2.gz AMVKKBDNUZIGHA-WOYTXXSLSA-N 2 0 384.521 -0.941 20 0 GBADRP C[C@H](CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000583821130 1072506436 /nfs/dbraw/zinc/50/64/36/1072506436.db2.gz AMVKKBDNUZIGHA-XAJHFOFHSA-N 2 0 384.521 -0.941 20 0 GBADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583823608 1072507176 /nfs/dbraw/zinc/50/71/76/1072507176.db2.gz CJRZLBFRHQMLJZ-CVEARBPZSA-N 2 0 390.488 -0.135 20 0 GBADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583823609 1072506796 /nfs/dbraw/zinc/50/67/96/1072506796.db2.gz CJRZLBFRHQMLJZ-HOTGVXAUSA-N 2 0 390.488 -0.135 20 0 GBADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583823610 1072507015 /nfs/dbraw/zinc/50/70/15/1072507015.db2.gz CJRZLBFRHQMLJZ-HZPDHXFCSA-N 2 0 390.488 -0.135 20 0 GBADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583823611 1072506590 /nfs/dbraw/zinc/50/65/90/1072506590.db2.gz CJRZLBFRHQMLJZ-JKSUJKDBSA-N 2 0 390.488 -0.135 20 0 GBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000584012118 1072522961 /nfs/dbraw/zinc/52/29/61/1072522961.db2.gz ZJJKQLIBQLJDBW-UHFFFAOYSA-N 2 0 393.532 -0.187 20 0 GBADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000584047539 1072526733 /nfs/dbraw/zinc/52/67/33/1072526733.db2.gz NISIIPINTBVZQT-DLBZAZTESA-N 2 0 389.500 -0.871 20 0 GBADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000584047540 1072526659 /nfs/dbraw/zinc/52/66/59/1072526659.db2.gz NISIIPINTBVZQT-IAGOWNOFSA-N 2 0 389.500 -0.871 20 0 GBADRP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000584047541 1072526700 /nfs/dbraw/zinc/52/67/00/1072526700.db2.gz NISIIPINTBVZQT-IRXDYDNUSA-N 2 0 389.500 -0.871 20 0 GBADRP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000584047542 1072526919 /nfs/dbraw/zinc/52/69/19/1072526919.db2.gz NISIIPINTBVZQT-SJORKVTESA-N 2 0 389.500 -0.871 20 0 GBADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000584167644 1072534665 /nfs/dbraw/zinc/53/46/65/1072534665.db2.gz BSUBQHNHKXCVEF-HKUYNNGSSA-N 2 0 376.501 -0.006 20 0 GBADRP COc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000584167645 1072534411 /nfs/dbraw/zinc/53/44/11/1072534411.db2.gz BSUBQHNHKXCVEF-IEBWSBKVSA-N 2 0 376.501 -0.006 20 0 GBADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000584167646 1072534483 /nfs/dbraw/zinc/53/44/83/1072534483.db2.gz BSUBQHNHKXCVEF-MJGOQNOKSA-N 2 0 376.501 -0.006 20 0 GBADRP COc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000584167647 1072534587 /nfs/dbraw/zinc/53/45/87/1072534587.db2.gz BSUBQHNHKXCVEF-PKOBYXMFSA-N 2 0 376.501 -0.006 20 0 GBADRP C[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000584193661 1072536289 /nfs/dbraw/zinc/53/62/89/1072536289.db2.gz ZMMMYLUWCHHSCB-BCDXTJNWSA-N 2 0 398.548 -0.209 20 0 GBADRP CC(CNC(=O)[C@H](C)C[NH+]1CCOCC1)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000584193662 1072536067 /nfs/dbraw/zinc/53/60/67/1072536067.db2.gz ZMMMYLUWCHHSCB-QZTJIDSGSA-N 2 0 398.548 -0.209 20 0 GBADRP CC(CNC(=O)[C@@H](C)C[NH+]1CCOCC1)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000584193663 1072535908 /nfs/dbraw/zinc/53/59/08/1072535908.db2.gz ZMMMYLUWCHHSCB-ROUUACIJSA-N 2 0 398.548 -0.209 20 0 GBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000584306274 1072544707 /nfs/dbraw/zinc/54/47/07/1072544707.db2.gz ZLAXYTDKPAXFMJ-UHFFFAOYSA-N 2 0 396.532 -0.024 20 0 GBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000584362633 1072549042 /nfs/dbraw/zinc/54/90/42/1072549042.db2.gz MONWGEUPUUFBBW-GDBMZVCRSA-N 2 0 391.447 -0.726 20 0 GBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1F ZINC000584362634 1072548601 /nfs/dbraw/zinc/54/86/01/1072548601.db2.gz MONWGEUPUUFBBW-GOEBONIOSA-N 2 0 391.447 -0.726 20 0 GBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1F ZINC000584362635 1072548641 /nfs/dbraw/zinc/54/86/41/1072548641.db2.gz MONWGEUPUUFBBW-HOCLYGCPSA-N 2 0 391.447 -0.726 20 0 GBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000584362636 1072548535 /nfs/dbraw/zinc/54/85/35/1072548535.db2.gz MONWGEUPUUFBBW-ZBFHGGJFSA-N 2 0 391.447 -0.726 20 0 GBADRP Cn1c2sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c(=O)n(C)c1=O ZINC000584391046 1072551975 /nfs/dbraw/zinc/55/19/75/1072551975.db2.gz QELSGBKRYPRWLF-UHFFFAOYSA-N 2 0 381.502 -0.136 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396860 1072551285 /nfs/dbraw/zinc/55/12/85/1072551285.db2.gz XKGQCHXKJODDJN-DLBZAZTESA-N 2 0 389.500 -0.776 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396861 1072551833 /nfs/dbraw/zinc/55/18/33/1072551833.db2.gz XKGQCHXKJODDJN-IAGOWNOFSA-N 2 0 389.500 -0.776 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396862 1072551256 /nfs/dbraw/zinc/55/12/56/1072551256.db2.gz XKGQCHXKJODDJN-IRXDYDNUSA-N 2 0 389.500 -0.776 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000584396863 1072551331 /nfs/dbraw/zinc/55/13/31/1072551331.db2.gz XKGQCHXKJODDJN-SJORKVTESA-N 2 0 389.500 -0.776 20 0 GBADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000584400626 1072552531 /nfs/dbraw/zinc/55/25/31/1072552531.db2.gz GEBRXUNNWXADSO-UHFFFAOYSA-N 2 0 389.500 -0.307 20 0 GBADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000584524152 1073128496 /nfs/dbraw/zinc/12/84/96/1073128496.db2.gz NEXSOORNXLHCML-MSOLQXFVSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000584524153 1073128057 /nfs/dbraw/zinc/12/80/57/1073128057.db2.gz NEXSOORNXLHCML-QZTJIDSGSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000584524154 1073128489 /nfs/dbraw/zinc/12/84/89/1073128489.db2.gz NEXSOORNXLHCML-ROUUACIJSA-N 2 0 377.533 -0.031 20 0 GBADRP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000584524155 1073128275 /nfs/dbraw/zinc/12/82/75/1073128275.db2.gz NEXSOORNXLHCML-ZWKOTPCHSA-N 2 0 377.533 -0.031 20 0 GBADRP CN1CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000584536079 1073207777 /nfs/dbraw/zinc/20/77/77/1073207777.db2.gz MWNPQWZRVJQFGT-UHFFFAOYSA-N 2 0 387.484 -0.603 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000584585826 1073291859 /nfs/dbraw/zinc/29/18/59/1073291859.db2.gz ZIRWGUJQNMWSGR-FQEVSTJZSA-N 2 0 389.544 -0.077 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000584585827 1073291652 /nfs/dbraw/zinc/29/16/52/1073291652.db2.gz ZIRWGUJQNMWSGR-HXUWFJFHSA-N 2 0 389.544 -0.077 20 0 GBADRP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(C)s1 ZINC000584586053 530344601 /nfs/dbraw/zinc/34/46/01/530344601.db2.gz JIRAUSRTKSSJFX-HNNXBMFYSA-N 2 0 390.575 -0.159 20 0 GBADRP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(C)s1 ZINC000584586054 530344427 /nfs/dbraw/zinc/34/44/27/530344427.db2.gz JIRAUSRTKSSJFX-OAHLLOKOSA-N 2 0 390.575 -0.159 20 0 GBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584587285 1073294363 /nfs/dbraw/zinc/29/43/63/1073294363.db2.gz APHQQEQPMYXNFT-BZUAXINKSA-N 2 0 379.505 -0.649 20 0 GBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584587286 1073293985 /nfs/dbraw/zinc/29/39/85/1073293985.db2.gz APHQQEQPMYXNFT-OAGGEKHMSA-N 2 0 379.505 -0.649 20 0 GBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584587287 1073294043 /nfs/dbraw/zinc/29/40/43/1073294043.db2.gz APHQQEQPMYXNFT-OWCLPIDISA-N 2 0 379.505 -0.649 20 0 GBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000584587288 1073293991 /nfs/dbraw/zinc/29/39/91/1073293991.db2.gz APHQQEQPMYXNFT-PMPSAXMXSA-N 2 0 379.505 -0.649 20 0 GBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000584642311 1073296775 /nfs/dbraw/zinc/29/67/75/1073296775.db2.gz ZJRNBFAPMUMDDC-INIZCTEOSA-N 2 0 384.521 -0.170 20 0 GBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000584642318 1073296619 /nfs/dbraw/zinc/29/66/19/1073296619.db2.gz ZJRNBFAPMUMDDC-MRXNPFEDSA-N 2 0 384.521 -0.170 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000584706474 1073302090 /nfs/dbraw/zinc/30/20/90/1073302090.db2.gz RRJDOMPNSDLOAT-BRWVUGGUSA-N 2 0 391.516 -0.554 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000584706475 1073301810 /nfs/dbraw/zinc/30/18/10/1073301810.db2.gz RRJDOMPNSDLOAT-IKGGRYGDSA-N 2 0 391.516 -0.554 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000584706476 1073302018 /nfs/dbraw/zinc/30/20/18/1073302018.db2.gz RRJDOMPNSDLOAT-IXDOHACOSA-N 2 0 391.516 -0.554 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000584706477 1073301720 /nfs/dbraw/zinc/30/17/20/1073301720.db2.gz RRJDOMPNSDLOAT-ZACQAIPSSA-N 2 0 391.516 -0.554 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000584714335 1073302178 /nfs/dbraw/zinc/30/21/78/1073302178.db2.gz JJVHTSIAJJAXAB-KRWDZBQOSA-N 2 0 393.532 -0.401 20 0 GBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000584714336 1073301853 /nfs/dbraw/zinc/30/18/53/1073301853.db2.gz JJVHTSIAJJAXAB-QGZVFWFLSA-N 2 0 393.532 -0.401 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000584715608 1073301629 /nfs/dbraw/zinc/30/16/29/1073301629.db2.gz XHBNXWJLCNNFMQ-IBGZPJMESA-N 3 0 391.564 -0.423 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000584715609 1073301998 /nfs/dbraw/zinc/30/19/98/1073301998.db2.gz XHBNXWJLCNNFMQ-LJQANCHMSA-N 3 0 391.564 -0.423 20 0 GBADRP Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000584768238 1073306291 /nfs/dbraw/zinc/30/62/91/1073306291.db2.gz FGZJLGHJCFEIMU-INIZCTEOSA-N 2 0 376.505 -0.290 20 0 GBADRP Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000584768242 1073306338 /nfs/dbraw/zinc/30/63/38/1073306338.db2.gz FGZJLGHJCFEIMU-MRXNPFEDSA-N 2 0 376.505 -0.290 20 0 GBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000584793630 1073308732 /nfs/dbraw/zinc/30/87/32/1073308732.db2.gz PISFBCQXVPACJE-INIZCTEOSA-N 2 0 379.505 -0.695 20 0 GBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000584842772 1073312752 /nfs/dbraw/zinc/31/27/52/1073312752.db2.gz GSWHQWWGNGRQOO-DOTOQJQBSA-N 2 0 399.503 -0.099 20 0 GBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000584842776 1073312628 /nfs/dbraw/zinc/31/26/28/1073312628.db2.gz GSWHQWWGNGRQOO-NVXWUHKLSA-N 2 0 399.503 -0.099 20 0 GBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000584842777 1073312680 /nfs/dbraw/zinc/31/26/80/1073312680.db2.gz GSWHQWWGNGRQOO-RDJZCZTQSA-N 2 0 399.503 -0.099 20 0 GBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000584842778 1073312199 /nfs/dbraw/zinc/31/21/99/1073312199.db2.gz GSWHQWWGNGRQOO-WBVHZDCISA-N 2 0 399.503 -0.099 20 0 GBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849890 1073313330 /nfs/dbraw/zinc/31/33/30/1073313330.db2.gz MWMZUOKXWPMRDI-CVEARBPZSA-N 2 0 379.505 -0.471 20 0 GBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849895 1073313274 /nfs/dbraw/zinc/31/32/74/1073313274.db2.gz MWMZUOKXWPMRDI-HOTGVXAUSA-N 2 0 379.505 -0.471 20 0 GBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849896 1073313479 /nfs/dbraw/zinc/31/34/79/1073313479.db2.gz MWMZUOKXWPMRDI-HZPDHXFCSA-N 2 0 379.505 -0.471 20 0 GBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000584849897 1073313252 /nfs/dbraw/zinc/31/32/52/1073313252.db2.gz MWMZUOKXWPMRDI-JKSUJKDBSA-N 2 0 379.505 -0.471 20 0 GBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)C2)CC1 ZINC000585727724 1073616322 /nfs/dbraw/zinc/61/63/22/1073616322.db2.gz LZDKNDHIWFGJKQ-KRWDZBQOSA-N 2 0 383.537 -0.691 20 0 GBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)C2)CC1 ZINC000585727725 1073616270 /nfs/dbraw/zinc/61/62/70/1073616270.db2.gz LZDKNDHIWFGJKQ-QGZVFWFLSA-N 2 0 383.537 -0.691 20 0 GBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000588094798 1073014726 /nfs/dbraw/zinc/01/47/26/1073014726.db2.gz VLJIQKYGSZPNBB-MSOLQXFVSA-N 2 0 395.548 -0.550 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000590319365 530140419 /nfs/dbraw/zinc/14/04/19/530140419.db2.gz ANMJIYJZGSUSRK-UHFFFAOYSA-N 2 0 377.555 -0.366 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000591085695 530153325 /nfs/dbraw/zinc/15/33/25/530153325.db2.gz OZWZMYIWBOWOLY-UHFFFAOYSA-N 2 0 378.520 -0.552 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccs1 ZINC000595276246 1073449036 /nfs/dbraw/zinc/44/90/36/1073449036.db2.gz MMNSJFMIOSDTDG-JHJVBQTASA-N 2 0 379.486 -0.763 20 0 GBADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595278487 1073448805 /nfs/dbraw/zinc/44/88/05/1073448805.db2.gz UJAYZUPNYBWKGG-PVAVHDDUSA-N 2 0 387.484 -0.607 20 0 GBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000604667578 1073608482 /nfs/dbraw/zinc/60/84/82/1073608482.db2.gz DMROARFXPFKTLG-QRVBRYPASA-N 2 0 395.548 -0.367 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000607241521 530214545 /nfs/dbraw/zinc/21/45/45/530214545.db2.gz DOXRMYJCCINKOX-UHFFFAOYSA-N 2 0 395.595 -0.500 20 0 GBADRP CC1[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000611696885 1072384665 /nfs/dbraw/zinc/38/46/65/1072384665.db2.gz VYIPPXBCCXKPSS-HOTGVXAUSA-N 2 0 396.532 -0.986 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000611956005 1072603706 /nfs/dbraw/zinc/60/37/06/1072603706.db2.gz MMWLYDVCCPJWPE-INIZCTEOSA-N 2 0 382.505 -0.416 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000611956006 1072603770 /nfs/dbraw/zinc/60/37/70/1072603770.db2.gz MMWLYDVCCPJWPE-MRXNPFEDSA-N 2 0 382.505 -0.416 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959448 1072605755 /nfs/dbraw/zinc/60/57/55/1072605755.db2.gz GVUAQCFLLDCEBA-KRWDZBQOSA-N 2 0 395.548 -0.500 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959449 1072605886 /nfs/dbraw/zinc/60/58/86/1072605886.db2.gz GVUAQCFLLDCEBA-QGZVFWFLSA-N 2 0 395.548 -0.500 20 0 GBADRP CCN(C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000611960303 1072605709 /nfs/dbraw/zinc/60/57/09/1072605709.db2.gz UBIRNYJIGMXRSP-KRWDZBQOSA-N 2 0 395.548 -0.548 20 0 GBADRP CCN(C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000611960304 1072605732 /nfs/dbraw/zinc/60/57/32/1072605732.db2.gz UBIRNYJIGMXRSP-QGZVFWFLSA-N 2 0 395.548 -0.548 20 0 GBADRP O=C(C[NH+]1CCC[C@@H](CO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000612095463 1072660663 /nfs/dbraw/zinc/66/06/63/1072660663.db2.gz UCCKTVXDJAVECI-HDICACEKSA-N 2 0 396.532 -0.934 20 0 GBADRP O=C(C[NH+]1CCC[C@@H](CO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000612095464 1072660580 /nfs/dbraw/zinc/66/05/80/1072660580.db2.gz UCCKTVXDJAVECI-QZTJIDSGSA-N 2 0 396.532 -0.934 20 0 GBADRP O=C(C[NH+]1CCC[C@H](CO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000612095465 1072660907 /nfs/dbraw/zinc/66/09/07/1072660907.db2.gz UCCKTVXDJAVECI-ROUUACIJSA-N 2 0 396.532 -0.934 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000612446001 1072819161 /nfs/dbraw/zinc/81/91/61/1072819161.db2.gz FZMPGNQGJGZAIS-INIZCTEOSA-N 2 0 393.532 -0.258 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000612446018 1072819627 /nfs/dbraw/zinc/81/96/27/1072819627.db2.gz FZMPGNQGJGZAIS-MRXNPFEDSA-N 2 0 393.532 -0.258 20 0 GBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000612479258 1072823321 /nfs/dbraw/zinc/82/33/21/1072823321.db2.gz BLAGFPZUMDIVKY-INIZCTEOSA-N 2 0 381.521 -0.545 20 0 GBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000612479259 1072823559 /nfs/dbraw/zinc/82/35/59/1072823559.db2.gz BLAGFPZUMDIVKY-MRXNPFEDSA-N 2 0 381.521 -0.545 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000612547116 1072835536 /nfs/dbraw/zinc/83/55/36/1072835536.db2.gz ZUPLKSFJLLMVNL-CVEARBPZSA-N 2 0 379.505 -0.648 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000612547117 1072835024 /nfs/dbraw/zinc/83/50/24/1072835024.db2.gz ZUPLKSFJLLMVNL-HOTGVXAUSA-N 2 0 379.505 -0.648 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000612547118 1072834674 /nfs/dbraw/zinc/83/46/74/1072834674.db2.gz ZUPLKSFJLLMVNL-HZPDHXFCSA-N 2 0 379.505 -0.648 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000612547119 1072835120 /nfs/dbraw/zinc/83/51/20/1072835120.db2.gz ZUPLKSFJLLMVNL-JKSUJKDBSA-N 2 0 379.505 -0.648 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000612549062 1072833092 /nfs/dbraw/zinc/83/30/92/1072833092.db2.gz VPBZAVVOBGFLPK-INIZCTEOSA-N 2 0 381.521 -0.401 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000612549063 1072833328 /nfs/dbraw/zinc/83/33/28/1072833328.db2.gz VPBZAVVOBGFLPK-MRXNPFEDSA-N 2 0 381.521 -0.401 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000612550346 1072832958 /nfs/dbraw/zinc/83/29/58/1072832958.db2.gz FSWORBBPIHOMGR-INIZCTEOSA-N 2 0 379.505 -0.647 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000612550347 1072833540 /nfs/dbraw/zinc/83/35/40/1072833540.db2.gz FSWORBBPIHOMGR-MRXNPFEDSA-N 2 0 379.505 -0.647 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000612590395 1072843545 /nfs/dbraw/zinc/84/35/45/1072843545.db2.gz AJKIEQYVAXSSOQ-MSOLQXFVSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000612590396 1072842646 /nfs/dbraw/zinc/84/26/46/1072842646.db2.gz AJKIEQYVAXSSOQ-QZTJIDSGSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000612590397 1072842923 /nfs/dbraw/zinc/84/29/23/1072842923.db2.gz AJKIEQYVAXSSOQ-ROUUACIJSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000612590398 1072842985 /nfs/dbraw/zinc/84/29/85/1072842985.db2.gz AJKIEQYVAXSSOQ-ZWKOTPCHSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599533 1072844011 /nfs/dbraw/zinc/84/40/11/1072844011.db2.gz XQIRGDGSGFCVST-KRWDZBQOSA-N 3 0 383.537 -0.692 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599534 1072844465 /nfs/dbraw/zinc/84/44/65/1072844465.db2.gz XQIRGDGSGFCVST-QGZVFWFLSA-N 3 0 383.537 -0.692 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599637 1072844578 /nfs/dbraw/zinc/84/45/78/1072844578.db2.gz ZROPQUKWQSJBMS-MSOLQXFVSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599638 1072844066 /nfs/dbraw/zinc/84/40/66/1072844066.db2.gz ZROPQUKWQSJBMS-QZTJIDSGSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599639 1072843932 /nfs/dbraw/zinc/84/39/32/1072843932.db2.gz ZROPQUKWQSJBMS-ROUUACIJSA-N 2 0 396.532 -0.075 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599640 1072844636 /nfs/dbraw/zinc/84/46/36/1072844636.db2.gz ZROPQUKWQSJBMS-ZWKOTPCHSA-N 2 0 396.532 -0.075 20 0 GBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000612600154 1072844083 /nfs/dbraw/zinc/84/40/83/1072844083.db2.gz FRAFPVKYBIXHKQ-JFIYKMOQSA-N 2 0 396.532 -0.029 20 0 GBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612600155 1072844121 /nfs/dbraw/zinc/84/41/21/1072844121.db2.gz FRAFPVKYBIXHKQ-JZXOWHBKSA-N 2 0 396.532 -0.029 20 0 GBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000612600156 1072844549 /nfs/dbraw/zinc/84/45/49/1072844549.db2.gz FRAFPVKYBIXHKQ-NUJGCVRESA-N 2 0 396.532 -0.029 20 0 GBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000612600157 1072844495 /nfs/dbraw/zinc/84/44/95/1072844495.db2.gz FRAFPVKYBIXHKQ-SOLBZPMBSA-N 2 0 396.532 -0.029 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612612287 1072845802 /nfs/dbraw/zinc/84/58/02/1072845802.db2.gz GENFNKUTYVWHCU-HNNXBMFYSA-N 2 0 383.537 -0.299 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612612294 1072845827 /nfs/dbraw/zinc/84/58/27/1072845827.db2.gz GENFNKUTYVWHCU-OAHLLOKOSA-N 2 0 383.537 -0.299 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000612721819 1072861030 /nfs/dbraw/zinc/86/10/30/1072861030.db2.gz FNIBHZJZPWENFF-GOSISDBHSA-N 2 0 375.517 -0.061 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000612721820 1072860890 /nfs/dbraw/zinc/86/08/90/1072860890.db2.gz FNIBHZJZPWENFF-SFHVURJKSA-N 2 0 375.517 -0.061 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612912278 1072887515 /nfs/dbraw/zinc/88/75/15/1072887515.db2.gz VVLGTOOPDCNEKO-INIZCTEOSA-N 2 0 390.536 -0.387 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612912282 1072887502 /nfs/dbraw/zinc/88/75/02/1072887502.db2.gz VVLGTOOPDCNEKO-MRXNPFEDSA-N 2 0 390.536 -0.387 20 0 GBADRP COCC[NH2+]CCNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612914196 1072887740 /nfs/dbraw/zinc/88/77/40/1072887740.db2.gz BCCBHYSFCZQHPG-HNNXBMFYSA-N 2 0 379.509 -0.056 20 0 GBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612914197 1072887973 /nfs/dbraw/zinc/88/79/73/1072887973.db2.gz BCCBHYSFCZQHPG-OAHLLOKOSA-N 2 0 379.509 -0.056 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924518 1072888103 /nfs/dbraw/zinc/88/81/03/1072888103.db2.gz PMRZNYGJKNIPOA-CABCVRRESA-N 2 0 377.493 -0.303 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924519 1072888792 /nfs/dbraw/zinc/88/87/92/1072888792.db2.gz PMRZNYGJKNIPOA-GJZGRUSLSA-N 2 0 377.493 -0.303 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924520 1072888652 /nfs/dbraw/zinc/88/86/52/1072888652.db2.gz PMRZNYGJKNIPOA-HUUCEWRRSA-N 2 0 377.493 -0.303 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924521 1072889098 /nfs/dbraw/zinc/88/90/98/1072889098.db2.gz PMRZNYGJKNIPOA-LSDHHAIUSA-N 2 0 377.493 -0.303 20 0 GBADRP C[NH+](C)C1(C(=O)NCCC(=O)N2CCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC000613129216 1072909304 /nfs/dbraw/zinc/90/93/04/1072909304.db2.gz WAUSHOLWLPKPDY-UHFFFAOYSA-N 2 0 379.505 -0.648 20 0 GBADRP CC(C)COC[C@@H](O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000613417188 530463078 /nfs/dbraw/zinc/46/30/78/530463078.db2.gz PXNLQTQEVXHBPT-INIZCTEOSA-N 2 0 378.539 -0.870 20 0 GBADRP CC(C)COC[C@H](O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000613417191 530463229 /nfs/dbraw/zinc/46/32/29/530463229.db2.gz PXNLQTQEVXHBPT-MRXNPFEDSA-N 2 0 378.539 -0.870 20 0 GBADRP C[NH+](C)C1(C(=O)NCCN(CCN2CCOCC2)C(=O)C2([NH+](C)C)CC2)CC1 ZINC000613527856 1072972356 /nfs/dbraw/zinc/97/23/56/1072972356.db2.gz VCKKUDSHTOCMCJ-UHFFFAOYSA-N 2 0 395.548 -0.548 20 0 GBADRP O=C(C[NH+]1CCC(CO)CC1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC000613674430 1073193815 /nfs/dbraw/zinc/19/38/15/1073193815.db2.gz ZNMDQOACPVMVPY-UHFFFAOYSA-N 2 0 396.532 -0.934 20 0 GBADRP CC1[C@H](C(=O)NCC[NH+]2CCCOCC2)[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000613797749 1073446906 /nfs/dbraw/zinc/44/69/06/1073446906.db2.gz PGKQOXMNYRUMKL-ROUUACIJSA-N 2 0 396.532 -0.455 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506025 1072618277 /nfs/dbraw/zinc/61/82/77/1072618277.db2.gz DILYORPXMSXGAQ-KSZLIROESA-N 2 0 377.533 -0.175 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506026 1072617675 /nfs/dbraw/zinc/61/76/75/1072617675.db2.gz DILYORPXMSXGAQ-KURKYZTESA-N 2 0 377.533 -0.175 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506027 1072617871 /nfs/dbraw/zinc/61/78/71/1072617871.db2.gz DILYORPXMSXGAQ-KZNAEPCWSA-N 2 0 377.533 -0.175 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)CC1=O ZINC000614506028 1072618006 /nfs/dbraw/zinc/61/80/06/1072618006.db2.gz DILYORPXMSXGAQ-RCCFBDPRSA-N 2 0 377.533 -0.175 20 0 GBADRP CN(CCC[NH+](C)C)CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000617768476 530297138 /nfs/dbraw/zinc/29/71/38/530297138.db2.gz FWDPRFHDCDNQIY-UHFFFAOYSA-N 2 0 390.282 -0.289 20 0 GBADRP O[C@H]1CC[NH+](CCNc2nc3ncccc3nc2NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000624775001 1072192109 /nfs/dbraw/zinc/19/21/09/1072192109.db2.gz VJOIAIYTKKFUTE-GJZGRUSLSA-N 2 0 387.488 -0.018 20 0 GBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626043430 1072373185 /nfs/dbraw/zinc/37/31/85/1072373185.db2.gz QGLYPEUUKVDOAP-BALXVJCKSA-N 2 0 396.532 -0.937 20 0 GBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000627379022 1072214313 /nfs/dbraw/zinc/21/43/13/1072214313.db2.gz AFTJVVUMYIZJSW-UHFFFAOYSA-N 2 0 392.500 -0.090 20 0 GBADRP C[NH+](C)CCCS(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631638251 530138952 /nfs/dbraw/zinc/13/89/52/530138952.db2.gz MENAAFCZUKNBCM-UHFFFAOYSA-N 2 0 384.568 -0.833 20 0 GBADRP Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)[nH]c1=O ZINC000631643830 530228248 /nfs/dbraw/zinc/22/82/48/530228248.db2.gz AAARNWWFSJZKAP-UHFFFAOYSA-N 2 0 375.495 -0.620 20 0 GBADRP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631699471 530137017 /nfs/dbraw/zinc/13/70/17/530137017.db2.gz FMRAURPWNKLDMN-HNNXBMFYSA-N 2 0 398.595 -0.445 20 0 GBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631699530 530137166 /nfs/dbraw/zinc/13/71/66/530137166.db2.gz FMRAURPWNKLDMN-OAHLLOKOSA-N 2 0 398.595 -0.445 20 0 GBADRP C[NH+](C)CCCS(=O)(=O)N1CCCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631701224 530450347 /nfs/dbraw/zinc/45/03/47/530450347.db2.gz MSZYHOJQNRGADN-UHFFFAOYSA-N 2 0 398.595 -0.443 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000631897685 530138313 /nfs/dbraw/zinc/13/83/13/530138313.db2.gz MFCYMWKDSCRKQU-AWEZNQCLSA-N 2 0 384.568 -0.977 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631897687 530138095 /nfs/dbraw/zinc/13/80/95/530138095.db2.gz MFCYMWKDSCRKQU-CQSZACIVSA-N 2 0 384.568 -0.977 20 0 GBADRP C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631911346 530140264 /nfs/dbraw/zinc/14/02/64/530140264.db2.gz CMRGHHKZJVLXAI-INIZCTEOSA-N 2 0 376.567 -0.269 20 0 GBADRP C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631911347 530140235 /nfs/dbraw/zinc/14/02/35/530140235.db2.gz CMRGHHKZJVLXAI-MRXNPFEDSA-N 2 0 376.567 -0.269 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631917672 530140696 /nfs/dbraw/zinc/14/06/96/530140696.db2.gz NSSFGRBXNFHMHN-UHFFFAOYSA-N 2 0 375.539 -0.599 20 0 GBADRP CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631987831 530141450 /nfs/dbraw/zinc/14/14/50/530141450.db2.gz PXCYCMIXYSNDCM-UHFFFAOYSA-N 2 0 375.583 -0.477 20 0 GBADRP C[NH+]1CCN(CCCS(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000632009837 530141318 /nfs/dbraw/zinc/14/13/18/530141318.db2.gz HAVGDMOCRGSDMA-KRWDZBQOSA-N 2 0 376.567 -0.220 20 0 GBADRP C[NH+]1CCN(CCCS(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000632009838 530141468 /nfs/dbraw/zinc/14/14/68/530141468.db2.gz HAVGDMOCRGSDMA-QGZVFWFLSA-N 2 0 376.567 -0.220 20 0 GBADRP C[N@H+](CCCO)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632013770 530141415 /nfs/dbraw/zinc/14/14/15/530141415.db2.gz SKYFBCWBJSZWQZ-UHFFFAOYSA-N 2 0 376.567 -0.268 20 0 GBADRP C[NH+](C)CCOC1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632026929 530141970 /nfs/dbraw/zinc/14/19/70/530141970.db2.gz PJFACVQIBQWYII-UHFFFAOYSA-N 2 0 376.567 -0.004 20 0 GBADRP C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000632030867 530141671 /nfs/dbraw/zinc/14/16/71/530141671.db2.gz ANLGQQZVNMASQC-KRWDZBQOSA-N 2 0 375.583 -0.573 20 0 GBADRP C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000632030868 530141877 /nfs/dbraw/zinc/14/18/77/530141877.db2.gz ANLGQQZVNMASQC-QGZVFWFLSA-N 2 0 375.583 -0.573 20 0 GBADRP C[NH+](C)C1CCN(CCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632068893 530142131 /nfs/dbraw/zinc/14/21/31/530142131.db2.gz RRQIYTQREDBLCM-UHFFFAOYSA-N 2 0 375.583 -0.431 20 0 GBADRP CC(C)[NH+]1CCC(O)(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632101816 530141764 /nfs/dbraw/zinc/14/17/64/530141764.db2.gz XSCDTEMHMQIJSY-UHFFFAOYSA-N 2 0 376.567 -0.221 20 0 GBADRP CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632253934 530143318 /nfs/dbraw/zinc/14/33/18/530143318.db2.gz GIVOXSPQWNCOGQ-KRWDZBQOSA-N 2 0 375.583 -0.431 20 0 GBADRP CC[NH+]1CCN([C@H](C)CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632253935 530143564 /nfs/dbraw/zinc/14/35/64/530143564.db2.gz GIVOXSPQWNCOGQ-QGZVFWFLSA-N 2 0 375.583 -0.431 20 0 GBADRP CCN(C1CN(S(=O)(=O)CCC[NH+](C)C)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632293425 530143623 /nfs/dbraw/zinc/14/36/23/530143623.db2.gz FUWSVSMYJQFKEH-UHFFFAOYSA-N 2 0 398.595 -0.445 20 0 GBADRP C[NH+]1CCN(CCCS(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000632304432 530143995 /nfs/dbraw/zinc/14/39/95/530143995.db2.gz SVYSPLRXTVUSKW-UHFFFAOYSA-N 2 0 375.583 -0.431 20 0 GBADRP C[NH+](C)CC1CN(S(=O)(=O)CCCS(=O)(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000632382251 530144898 /nfs/dbraw/zinc/14/48/98/530144898.db2.gz JWRCZPFCXDJYAS-UHFFFAOYSA-N 2 0 396.579 -0.977 20 0 GBADRP C[NH+](C)C1(CNS(=O)(=O)CCCS(=O)(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000632489048 530146006 /nfs/dbraw/zinc/14/60/06/530146006.db2.gz YHVXJLVSADBKLD-UHFFFAOYSA-N 2 0 396.579 -0.596 20 0 GBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632499891 530145735 /nfs/dbraw/zinc/14/57/35/530145735.db2.gz OTQXHWQUVHUMKD-HNNXBMFYSA-N 2 0 375.539 -0.995 20 0 GBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632499892 530145604 /nfs/dbraw/zinc/14/56/04/530145604.db2.gz OTQXHWQUVHUMKD-OAHLLOKOSA-N 2 0 375.539 -0.995 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000632576317 530146879 /nfs/dbraw/zinc/14/68/79/530146879.db2.gz NQSXJFZUIWKWKK-KRWDZBQOSA-N 2 0 376.567 -0.004 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000632576318 530146751 /nfs/dbraw/zinc/14/67/51/530146751.db2.gz NQSXJFZUIWKWKK-QGZVFWFLSA-N 2 0 376.567 -0.004 20 0 GBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000632587692 530146586 /nfs/dbraw/zinc/14/65/86/530146586.db2.gz HKISURSBCXKJLL-OAHLLOKOSA-N 2 0 398.595 -0.397 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000636681875 1073547907 /nfs/dbraw/zinc/54/79/07/1073547907.db2.gz YQQKLONGQHPVJR-SFHVURJKSA-N 3 0 376.505 -0.041 20 0 GBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636712323 1073558213 /nfs/dbraw/zinc/55/82/13/1073558213.db2.gz GURCTCMSDANGHI-INIZCTEOSA-N 2 0 381.521 -0.938 20 0 GBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636712324 1073558582 /nfs/dbraw/zinc/55/85/82/1073558582.db2.gz GURCTCMSDANGHI-MRXNPFEDSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000636712767 1073558634 /nfs/dbraw/zinc/55/86/34/1073558634.db2.gz LHPFDIYEEBXHMD-KRWDZBQOSA-N 2 0 377.489 -0.156 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000636712768 1073558146 /nfs/dbraw/zinc/55/81/46/1073558146.db2.gz LHPFDIYEEBXHMD-QGZVFWFLSA-N 2 0 377.489 -0.156 20 0 GBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000636731223 1073562541 /nfs/dbraw/zinc/56/25/41/1073562541.db2.gz XGQXVQREFKZNMI-KRWDZBQOSA-N 2 0 391.520 -0.255 20 0 GBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636731227 1073563578 /nfs/dbraw/zinc/56/35/78/1073563578.db2.gz XGQXVQREFKZNMI-QGZVFWFLSA-N 2 0 391.520 -0.255 20 0 GBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636761376 1073569074 /nfs/dbraw/zinc/56/90/74/1073569074.db2.gz BNFKMCHTYUGXSD-UHFFFAOYSA-N 2 0 384.521 -0.216 20 0 GBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791360 1073575723 /nfs/dbraw/zinc/57/57/23/1073575723.db2.gz FXRTUIAWZSMSPW-RDJZCZTQSA-N 2 0 380.537 -0.206 20 0 GBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C2)CC1 ZINC000636791372 1073575623 /nfs/dbraw/zinc/57/56/23/1073575623.db2.gz FXRTUIAWZSMSPW-WBVHZDCISA-N 2 0 380.537 -0.206 20 0 GBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000636799656 1073577658 /nfs/dbraw/zinc/57/76/58/1073577658.db2.gz SHGXIKUDZLKHPG-UHFFFAOYSA-N 2 0 395.529 -0.055 20 0 GBADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253258 1073651735 /nfs/dbraw/zinc/65/17/35/1073651735.db2.gz GFHHRBLYFFJMIN-CEXWTWQISA-N 2 0 386.496 -0.037 20 0 GBADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)cc1 ZINC000637253259 1073651652 /nfs/dbraw/zinc/65/16/52/1073651652.db2.gz GFHHRBLYFFJMIN-GBESFXJTSA-N 2 0 386.496 -0.037 20 0 GBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637377055 1073662926 /nfs/dbraw/zinc/66/29/26/1073662926.db2.gz URBZHALYSNVVQK-KRWDZBQOSA-N 2 0 382.553 -0.006 20 0 GBADRP CN(C)S(=O)(=O)N1CC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000637542160 1073710657 /nfs/dbraw/zinc/71/06/57/1073710657.db2.gz ZEFJPGYNBDOPNU-UHFFFAOYSA-N 2 0 392.570 -0.608 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671791 530232238 /nfs/dbraw/zinc/23/22/38/530232238.db2.gz TUOLVIRGKBXCBV-HNNXBMFYSA-N 2 0 377.555 -0.017 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCS(=O)(=O)NC ZINC000637671793 530232119 /nfs/dbraw/zinc/23/21/19/530232119.db2.gz TUOLVIRGKBXCBV-OAHLLOKOSA-N 2 0 377.555 -0.017 20 0 GBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000638117507 1072704120 /nfs/dbraw/zinc/70/41/20/1072704120.db2.gz MIAPHHCCZVTCFX-UXHICEINSA-N 2 0 389.544 -0.032 20 0 GBADRP C[C@]12C[NH+](C/C=C\C[N@@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)C[C@]1(C)C(=O)NC2=O ZINC000639943255 1073902423 /nfs/dbraw/zinc/90/24/23/1073902423.db2.gz WEWXUHPLEJKSRK-DTGBZTBESA-N 2 0 388.468 -0.488 20 0 GBADRP C[C@]12C[NH+](C/C=C/C[N@H+]3C[C@]4(C)C(=O)NC(=O)[C@]4(C)C3)C[C@@]1(C)C(=O)NC2=O ZINC000639943256 1073902219 /nfs/dbraw/zinc/90/22/19/1073902219.db2.gz WEWXUHPLEJKSRK-MCBGNAOOSA-N 2 0 388.468 -0.488 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951526 1073903219 /nfs/dbraw/zinc/90/32/19/1073903219.db2.gz NIMCIBQJYDLNEQ-ZMYBRWDISA-N 2 0 380.489 -0.556 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000639951531 1073903471 /nfs/dbraw/zinc/90/34/71/1073903471.db2.gz NIMCIBQJYDLNEQ-ZOCIIQOWSA-N 2 0 380.489 -0.556 20 0 GBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000642685673 1072147608 /nfs/dbraw/zinc/14/76/08/1072147608.db2.gz YWKADBWUFOCKFJ-RHSMWYFYSA-N 2 0 378.473 -0.182 20 0 GBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000642686135 1072147629 /nfs/dbraw/zinc/14/76/29/1072147629.db2.gz KLDSAYILZVGDFE-PBHICJAKSA-N 2 0 378.473 -0.182 20 0 GBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000642686136 1072147475 /nfs/dbraw/zinc/14/74/75/1072147475.db2.gz KLDSAYILZVGDFE-RHSMWYFYSA-N 2 0 378.473 -0.182 20 0 GBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000642686137 1072147618 /nfs/dbraw/zinc/14/76/18/1072147618.db2.gz KLDSAYILZVGDFE-WMLDXEAASA-N 2 0 378.473 -0.182 20 0 GBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000642686138 1072148603 /nfs/dbraw/zinc/14/86/03/1072148603.db2.gz KLDSAYILZVGDFE-YOEHRIQHSA-N 2 0 378.473 -0.182 20 0 GBADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000642756517 1072351909 /nfs/dbraw/zinc/35/19/09/1072351909.db2.gz UXKUEERVTIWKIH-CVEARBPZSA-N 2 0 381.521 -0.498 20 0 GBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000642785715 1072442887 /nfs/dbraw/zinc/44/28/87/1072442887.db2.gz DZPRQXKFXUXAOM-IAGOWNOFSA-N 2 0 391.516 -0.743 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642785977 1072444026 /nfs/dbraw/zinc/44/40/26/1072444026.db2.gz VKRMXWNDCIPHKJ-KGLIPLIRSA-N 2 0 391.438 -0.461 20 0 GBADRP CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902197 1072377148 /nfs/dbraw/zinc/37/71/48/1072377148.db2.gz MEAIYQVQZCLQRC-INIZCTEOSA-N 2 0 381.521 -0.353 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642958513 1073014270 /nfs/dbraw/zinc/01/42/70/1073014270.db2.gz JWSUTZYRAJBQNE-ARFHVFGLSA-N 2 0 381.521 -0.546 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642958514 1073014491 /nfs/dbraw/zinc/01/44/91/1073014491.db2.gz JWSUTZYRAJBQNE-HRCADAONSA-N 2 0 381.521 -0.546 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642958515 1073014581 /nfs/dbraw/zinc/01/45/81/1073014581.db2.gz JWSUTZYRAJBQNE-JYJNAYRXSA-N 2 0 381.521 -0.546 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642958516 1073014670 /nfs/dbraw/zinc/01/46/70/1073014670.db2.gz JWSUTZYRAJBQNE-XHSDSOJGSA-N 2 0 381.521 -0.546 20 0 GBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642958897 1073016610 /nfs/dbraw/zinc/01/66/10/1073016610.db2.gz IILRSHSDKHUDGP-UAGQMJEPSA-N 2 0 395.548 -0.158 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643526565 1073609007 /nfs/dbraw/zinc/60/90/07/1073609007.db2.gz BCEYMFJLIZHQET-BBRMVZONSA-N 2 0 377.445 -0.687 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643526566 1073608343 /nfs/dbraw/zinc/60/83/43/1073608343.db2.gz BCEYMFJLIZHQET-CJNGLKHVSA-N 2 0 377.445 -0.687 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643526567 1073608561 /nfs/dbraw/zinc/60/85/61/1073608561.db2.gz BCEYMFJLIZHQET-CZUORRHYSA-N 2 0 377.445 -0.687 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643526568 1073608935 /nfs/dbraw/zinc/60/89/35/1073608935.db2.gz BCEYMFJLIZHQET-XJKSGUPXSA-N 2 0 377.445 -0.687 20 0 GBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000643542503 1072134590 /nfs/dbraw/zinc/13/45/90/1072134590.db2.gz KLHIOBGKESBDTD-CVEARBPZSA-N 2 0 379.505 -0.792 20 0 GBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH2+]1 ZINC000643542504 1072134802 /nfs/dbraw/zinc/13/48/02/1072134802.db2.gz KLHIOBGKESBDTD-HZPDHXFCSA-N 2 0 379.505 -0.792 20 0 GBADRP CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[C@H]1[NH3+] ZINC000643542543 1072134644 /nfs/dbraw/zinc/13/46/44/1072134644.db2.gz WEWHLIYXJUFYIT-OAGGEKHMSA-N 2 0 379.505 -0.663 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)CC1 ZINC000643544090 1072138357 /nfs/dbraw/zinc/13/83/57/1072138357.db2.gz GUXNOUQBHVASKB-FUHWJXTLSA-N 2 0 395.548 -0.422 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)CC1 ZINC000643544092 1072138292 /nfs/dbraw/zinc/13/82/92/1072138292.db2.gz GUXNOUQBHVASKB-WMZOPIPTSA-N 2 0 395.548 -0.422 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000643544112 1072138192 /nfs/dbraw/zinc/13/81/92/1072138192.db2.gz KWZVDYUZIDFPLB-CALCHBBNSA-N 2 0 377.533 -0.319 20 0 GBADRP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643549686 1072145356 /nfs/dbraw/zinc/14/53/56/1072145356.db2.gz BWGMUCFPEZFPSE-NEWSRXKRSA-N 2 0 389.544 -0.032 20 0 GBADRP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643549689 1072145472 /nfs/dbraw/zinc/14/54/72/1072145472.db2.gz BWGMUCFPEZFPSE-YTQUADARSA-N 2 0 389.544 -0.032 20 0 GBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643553852 1073611814 /nfs/dbraw/zinc/61/18/14/1073611814.db2.gz SQSRQDMUJFVVLK-DLBZAZTESA-N 2 0 393.532 -0.354 20 0 GBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643553853 1072151256 /nfs/dbraw/zinc/15/12/56/1072151256.db2.gz SQSRQDMUJFVVLK-IAGOWNOFSA-N 2 0 393.532 -0.354 20 0 GBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643553854 1072151328 /nfs/dbraw/zinc/15/13/28/1072151328.db2.gz SQSRQDMUJFVVLK-IRXDYDNUSA-N 2 0 393.532 -0.354 20 0 GBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C1 ZINC000643580998 1072168570 /nfs/dbraw/zinc/16/85/70/1072168570.db2.gz OYKFINFGPWPASI-KRWDZBQOSA-N 2 0 381.521 -0.938 20 0 GBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000643594543 1072183017 /nfs/dbraw/zinc/18/30/17/1072183017.db2.gz OUAQBMDGKBUHHR-HZPDHXFCSA-N 2 0 379.505 -0.791 20 0 GBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000644195585 1073126420 /nfs/dbraw/zinc/12/64/20/1073126420.db2.gz RSSNDQWYMRQJQK-QGZVFWFLSA-N 2 0 389.500 -0.085 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000646858135 530462826 /nfs/dbraw/zinc/46/28/26/530462826.db2.gz QHGRKNCDDOALAS-HNNXBMFYSA-N 2 0 377.555 -0.366 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000646858136 530462781 /nfs/dbraw/zinc/46/27/81/530462781.db2.gz QHGRKNCDDOALAS-OAHLLOKOSA-N 2 0 377.555 -0.366 20 0 GBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000646889341 1072179066 /nfs/dbraw/zinc/17/90/66/1072179066.db2.gz LIYPDRGYXPTJGT-UHFFFAOYSA-N 2 0 378.477 -0.294 20 0 GBADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647030206 1072316691 /nfs/dbraw/zinc/31/66/91/1072316691.db2.gz IRIJKSKOTIMUBW-KRWDZBQOSA-N 2 0 395.548 -0.012 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647558447 1072997696 /nfs/dbraw/zinc/99/76/96/1072997696.db2.gz KIDOJHUCCFIEHB-UHFFFAOYSA-N 3 0 383.537 -0.739 20 0 GBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000647559742 1072998428 /nfs/dbraw/zinc/99/84/28/1072998428.db2.gz QQTNEJBJSTUQBX-UHFFFAOYSA-N 2 0 396.532 -0.121 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647567082 1073002766 /nfs/dbraw/zinc/00/27/66/1073002766.db2.gz KVONZMODFGHMNQ-DLBZAZTESA-N 2 0 393.532 -0.306 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647567084 1073002608 /nfs/dbraw/zinc/00/26/08/1073002608.db2.gz KVONZMODFGHMNQ-IRXDYDNUSA-N 2 0 393.532 -0.306 20 0 GBADRP CCCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647567085 1073002373 /nfs/dbraw/zinc/00/23/73/1073002373.db2.gz KVONZMODFGHMNQ-SJORKVTESA-N 2 0 393.532 -0.306 20 0 GBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000647624844 1073010872 /nfs/dbraw/zinc/01/08/72/1073010872.db2.gz OTDXWDSUIMKKME-APWZRJJASA-N 2 0 382.505 -0.918 20 0 GBADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000647624845 1073010852 /nfs/dbraw/zinc/01/08/52/1073010852.db2.gz OTDXWDSUIMKKME-LPHOPBHVSA-N 2 0 382.505 -0.918 20 0 GBADRP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCN1CC[NH2+]CC1 ZINC000647834945 1073974448 /nfs/dbraw/zinc/97/44/48/1073974448.db2.gz GNWLTXPGIQNNBQ-UHFFFAOYSA-N 2 0 397.545 -0.780 20 0 GBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978525 1073133093 /nfs/dbraw/zinc/13/30/93/1073133093.db2.gz TXZKALIYGFQGRI-MCIONIFRSA-N 2 0 377.489 -0.051 20 0 GBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978526 1073133177 /nfs/dbraw/zinc/13/31/77/1073133177.db2.gz TXZKALIYGFQGRI-MGPQQGTHSA-N 2 0 377.489 -0.051 20 0 GBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978527 1073133309 /nfs/dbraw/zinc/13/33/09/1073133309.db2.gz TXZKALIYGFQGRI-RDBSUJKOSA-N 2 0 377.489 -0.051 20 0 GBADRP CN(CCCNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)S(C)(=O)=O ZINC000647983544 530281020 /nfs/dbraw/zinc/28/10/20/530281020.db2.gz JUJSPOIXQVEMMZ-ZBFHGGJFSA-N 2 0 376.523 -0.788 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123456 1073764468 /nfs/dbraw/zinc/76/44/68/1073764468.db2.gz WFELIHBMIHAGBU-ARWBCWGVSA-N 3 0 389.544 -0.223 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123457 1073764390 /nfs/dbraw/zinc/76/43/90/1073764390.db2.gz WFELIHBMIHAGBU-BWZHCXAASA-N 3 0 389.544 -0.223 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123458 1073764227 /nfs/dbraw/zinc/76/42/27/1073764227.db2.gz WFELIHBMIHAGBU-JDNULILRSA-N 3 0 389.544 -0.223 20 0 GBADRP O=C(C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123459 1073764528 /nfs/dbraw/zinc/76/45/28/1073764528.db2.gz WFELIHBMIHAGBU-NAIAOIPJSA-N 3 0 389.544 -0.223 20 0 GBADRP CC[NH+](CC)CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000648149340 1072332051 /nfs/dbraw/zinc/33/20/51/1072332051.db2.gz SHEWCXDESSLXFX-ZBFHGGJFSA-N 2 0 390.550 -0.557 20 0 GBADRP CN(C(=O)COC1(C)C[NH2+]C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152481 1072538129 /nfs/dbraw/zinc/53/81/29/1072538129.db2.gz NWPPNWVGQPIFIU-UHFFFAOYSA-N 2 0 381.521 -0.938 20 0 GBADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152498 1072538738 /nfs/dbraw/zinc/53/87/38/1072538738.db2.gz SMQNZKNDTDDCJO-FXAWDEMLSA-N 2 0 377.533 -0.317 20 0 GBADRP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152501 1072538222 /nfs/dbraw/zinc/53/82/22/1072538222.db2.gz SMQNZKNDTDDCJO-YLJYHZDGSA-N 2 0 377.533 -0.317 20 0 GBADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152518 1072538640 /nfs/dbraw/zinc/53/86/40/1072538640.db2.gz WSEQQDRNBBKWOO-MRXNPFEDSA-N 2 0 397.589 -0.222 20 0 GBADRP CN(C(=O)CCOC1C[NH2+]C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152525 1072538396 /nfs/dbraw/zinc/53/83/96/1072538396.db2.gz XGSHKIBYOAWZHI-UHFFFAOYSA-N 2 0 381.521 -0.938 20 0 GBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650861343 1072629180 /nfs/dbraw/zinc/62/91/80/1072629180.db2.gz VDNJOYRENQKNMC-UHFFFAOYSA-N 2 0 396.536 -0.656 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000650889732 1072642320 /nfs/dbraw/zinc/64/23/20/1072642320.db2.gz QBMDECBOZDOKGI-INIZCTEOSA-N 2 0 381.521 -0.097 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1=O ZINC000650973806 1073052339 /nfs/dbraw/zinc/05/23/39/1073052339.db2.gz HHDVYQDNVHPNOY-IAGOWNOFSA-N 2 0 381.521 -0.220 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000650973807 1073052800 /nfs/dbraw/zinc/05/28/00/1073052800.db2.gz HHDVYQDNVHPNOY-IRXDYDNUSA-N 2 0 381.521 -0.220 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1=O ZINC000650973808 1073052896 /nfs/dbraw/zinc/05/28/96/1073052896.db2.gz HHDVYQDNVHPNOY-SJORKVTESA-N 2 0 381.521 -0.220 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1=O ZINC000651958823 1072264909 /nfs/dbraw/zinc/26/49/09/1072264909.db2.gz UEHWDZGRIMKLRZ-UHFFFAOYSA-N 2 0 385.428 -0.562 20 0 GBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347607 1073502476 /nfs/dbraw/zinc/50/24/76/1073502476.db2.gz GJPOSRGPMGLEMS-ARFHVFGLSA-N 2 0 390.550 -0.398 20 0 GBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347608 1073502953 /nfs/dbraw/zinc/50/29/53/1073502953.db2.gz GJPOSRGPMGLEMS-HRCADAONSA-N 2 0 390.550 -0.398 20 0 GBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347609 1073503135 /nfs/dbraw/zinc/50/31/35/1073503135.db2.gz GJPOSRGPMGLEMS-JYJNAYRXSA-N 2 0 390.550 -0.398 20 0 GBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)S(C)(=O)=O ZINC000652347610 1073502598 /nfs/dbraw/zinc/50/25/98/1073502598.db2.gz GJPOSRGPMGLEMS-XHSDSOJGSA-N 2 0 390.550 -0.398 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348793 1073502897 /nfs/dbraw/zinc/50/28/97/1073502897.db2.gz RIQXDULYAQYZMI-BZSNNMDCSA-N 2 0 395.548 -0.563 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348794 1073503066 /nfs/dbraw/zinc/50/30/66/1073503066.db2.gz RIQXDULYAQYZMI-KSZLIROESA-N 2 0 395.548 -0.563 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348795 1073503170 /nfs/dbraw/zinc/50/31/70/1073503170.db2.gz RIQXDULYAQYZMI-OKZBNKHCSA-N 2 0 395.548 -0.563 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348796 1073502635 /nfs/dbraw/zinc/50/26/35/1073502635.db2.gz RIQXDULYAQYZMI-RCCFBDPRSA-N 2 0 395.548 -0.563 20 0 GBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652402853 1073510453 /nfs/dbraw/zinc/51/04/53/1073510453.db2.gz CNHJXOMTJWAYKW-UHFFFAOYSA-N 2 0 395.548 -0.201 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1=O ZINC000652402974 1073509840 /nfs/dbraw/zinc/50/98/40/1073509840.db2.gz PBDKXZMGTLFVPX-UHFFFAOYSA-N 2 0 393.532 -0.447 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1=O ZINC000652411370 1073514754 /nfs/dbraw/zinc/51/47/54/1073514754.db2.gz CFWWAVIYHROMAV-INIZCTEOSA-N 2 0 379.505 -0.694 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000652411371 1073514598 /nfs/dbraw/zinc/51/45/98/1073514598.db2.gz CFWWAVIYHROMAV-MRXNPFEDSA-N 2 0 379.505 -0.694 20 0 GBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652413339 1073515693 /nfs/dbraw/zinc/51/56/93/1073515693.db2.gz RIQWXQWWUVGHAL-UHFFFAOYSA-N 2 0 395.548 -0.202 20 0 GBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652414683 1073515793 /nfs/dbraw/zinc/51/57/93/1073515793.db2.gz NIVSFYCRDUITQD-UHFFFAOYSA-N 2 0 381.521 -0.591 20 0 GBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652419334 1073515404 /nfs/dbraw/zinc/51/54/04/1073515404.db2.gz OZASTVAZYNTFQJ-OAHLLOKOSA-N 2 0 381.521 -0.593 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1=O ZINC000652423808 1073515760 /nfs/dbraw/zinc/51/57/60/1073515760.db2.gz YLCRWNWREODWMK-UHFFFAOYSA-N 2 0 381.521 -0.448 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1=O ZINC000652429962 1073517036 /nfs/dbraw/zinc/51/70/36/1073517036.db2.gz CWTMYZDFFDUNFK-HNNXBMFYSA-N 2 0 376.461 -0.721 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)CC1=O ZINC000652429963 1073517094 /nfs/dbraw/zinc/51/70/94/1073517094.db2.gz CWTMYZDFFDUNFK-OAHLLOKOSA-N 2 0 376.461 -0.721 20 0 GBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000652431372 1073516694 /nfs/dbraw/zinc/51/66/94/1073516694.db2.gz KKEUVMMVGKUPJL-UHFFFAOYSA-N 2 0 395.548 -0.153 20 0 GBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000652431521 1073516814 /nfs/dbraw/zinc/51/68/14/1073516814.db2.gz VHUCTLLLKGKBGI-UHFFFAOYSA-N 2 0 393.532 -0.303 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652431528 1073516467 /nfs/dbraw/zinc/51/64/67/1073516467.db2.gz VYBYLPIBBDFRJW-UHFFFAOYSA-N 2 0 395.548 -0.057 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1=O ZINC000652432857 1073516586 /nfs/dbraw/zinc/51/65/86/1073516586.db2.gz FFDHMBVRAKRTHS-INIZCTEOSA-N 2 0 379.505 -0.694 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1=O ZINC000652432858 1073516442 /nfs/dbraw/zinc/51/64/42/1073516442.db2.gz FFDHMBVRAKRTHS-MRXNPFEDSA-N 2 0 379.505 -0.694 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1=O ZINC000652456720 1073519777 /nfs/dbraw/zinc/51/97/77/1073519777.db2.gz FDGSWEHGXHSWRO-KRWDZBQOSA-N 2 0 393.532 -0.304 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000652468567 1073522898 /nfs/dbraw/zinc/52/28/98/1073522898.db2.gz KSPWXNSEJKEKFN-KRWDZBQOSA-N 2 0 393.532 -0.591 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000652468568 1073522657 /nfs/dbraw/zinc/52/26/57/1073522657.db2.gz KSPWXNSEJKEKFN-QGZVFWFLSA-N 2 0 393.532 -0.591 20 0 GBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000652471743 1073523940 /nfs/dbraw/zinc/52/39/40/1073523940.db2.gz DXEPRQPBCSPGJX-KRWDZBQOSA-N 2 0 393.532 -0.304 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000652475269 1073522619 /nfs/dbraw/zinc/52/26/19/1073522619.db2.gz GLXOVXYAAQNCTI-KRWDZBQOSA-N 2 0 393.532 -0.591 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000652475270 1073522593 /nfs/dbraw/zinc/52/25/93/1073522593.db2.gz GLXOVXYAAQNCTI-QGZVFWFLSA-N 2 0 393.532 -0.591 20 0 GBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652476558 1073524829 /nfs/dbraw/zinc/52/48/29/1073524829.db2.gz AXQZYPKPIZOEOM-CVEARBPZSA-N 2 0 379.505 -0.696 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1=O ZINC000652479583 1073524983 /nfs/dbraw/zinc/52/49/83/1073524983.db2.gz GHOGVBZEHWLOAE-CVEARBPZSA-N 2 0 379.505 -0.839 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1=O ZINC000652505410 1073527946 /nfs/dbraw/zinc/52/79/46/1073527946.db2.gz NPKGEHKBWPVYRU-IBGZPJMESA-N 2 0 379.505 -0.837 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1=O ZINC000652505411 1073528310 /nfs/dbraw/zinc/52/83/10/1073528310.db2.gz NPKGEHKBWPVYRU-LJQANCHMSA-N 2 0 379.505 -0.837 20 0 GBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cnn(CCN3CCOCC3)c1)C2 ZINC000652629674 1073547602 /nfs/dbraw/zinc/54/76/02/1073547602.db2.gz PGLZYUAHBDIPHR-KXBFYZLASA-N 2 0 390.488 -0.259 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000652671394 1073622291 /nfs/dbraw/zinc/62/22/91/1073622291.db2.gz AJNVLGUDSXYPEY-HZPDHXFCSA-N 2 0 393.488 -0.540 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652671399 1073622325 /nfs/dbraw/zinc/62/23/25/1073622325.db2.gz AJTOPGKEYOHGTD-VDHUWJSZSA-N 2 0 396.532 -0.307 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652672008 1073624164 /nfs/dbraw/zinc/62/41/64/1073624164.db2.gz WGQVZVNBBDQJFT-BSWAZPDLSA-N 2 0 382.505 -0.697 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652672009 1073624154 /nfs/dbraw/zinc/62/41/54/1073624154.db2.gz WGQVZVNBBDQJFT-MWQQHZPXSA-N 2 0 382.505 -0.697 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652672010 1073624118 /nfs/dbraw/zinc/62/41/18/1073624118.db2.gz WGQVZVNBBDQJFT-MXASKKJJSA-N 2 0 382.505 -0.697 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@H]1C[NH3+] ZINC000652672011 1073624201 /nfs/dbraw/zinc/62/42/01/1073624201.db2.gz WGQVZVNBBDQJFT-XLNGHYISSA-N 2 0 382.505 -0.697 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)(N2CCOCC2)CC1 ZINC000652674049 1073638506 /nfs/dbraw/zinc/63/85/06/1073638506.db2.gz JQRWAPNYXKHLMF-UHFFFAOYSA-N 2 0 381.521 -0.856 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652677263 1073644119 /nfs/dbraw/zinc/64/41/19/1073644119.db2.gz VVWMXEUVHUNFQI-BRWVUGGUSA-N 2 0 383.537 -0.803 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652677264 1073644013 /nfs/dbraw/zinc/64/40/13/1073644013.db2.gz VVWMXEUVHUNFQI-IXDOHACOSA-N 2 0 383.537 -0.803 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652677287 1073644333 /nfs/dbraw/zinc/64/43/33/1073644333.db2.gz XBGDCZVFKNRJKI-UHFFFAOYSA-N 2 0 395.548 -0.026 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652677864 1073648436 /nfs/dbraw/zinc/64/84/36/1073648436.db2.gz KMAMGJAUMAEVKF-UHFFFAOYSA-N 2 0 388.516 -0.045 20 0 GBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCC3CC[NH2+]CC3)ccn2)CC1 ZINC000652678464 1073655451 /nfs/dbraw/zinc/65/54/51/1073655451.db2.gz CFYLYEIIHZPVMT-UHFFFAOYSA-N 2 0 388.516 -0.045 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000652678525 1073655778 /nfs/dbraw/zinc/65/57/78/1073655778.db2.gz FKYQLITUKRBVOQ-CRAIPNDOSA-N 2 0 389.500 -0.016 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H]1C[NH3+] ZINC000652680344 1073662000 /nfs/dbraw/zinc/66/20/00/1073662000.db2.gz AOLIQDURRIIJQV-CRAIPNDOSA-N 2 0 395.548 -0.517 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652683397 1073672211 /nfs/dbraw/zinc/67/22/11/1073672211.db2.gz NAQZSSCWBGEDNU-IAGOWNOFSA-N 2 0 383.537 -0.658 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684281 1073680633 /nfs/dbraw/zinc/68/06/33/1073680633.db2.gz JQXUXMYPDAHWRP-INIZCTEOSA-N 2 0 381.521 -0.449 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684282 1073680487 /nfs/dbraw/zinc/68/04/87/1073680487.db2.gz JQXUXMYPDAHWRP-MRXNPFEDSA-N 2 0 381.521 -0.449 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684759 1073691895 /nfs/dbraw/zinc/69/18/95/1073691895.db2.gz WQGSQCWNTZDJCR-BSDSXHPESA-N 2 0 396.532 -0.042 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684760 1073691474 /nfs/dbraw/zinc/69/14/74/1073691474.db2.gz WQGSQCWNTZDJCR-FJIDUMEYSA-N 2 0 396.532 -0.042 20 0 GBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652690064 1072472885 /nfs/dbraw/zinc/47/28/85/1072472885.db2.gz ACBAHGMQKUEZTJ-BBWFWOEESA-N 2 0 384.521 -0.184 20 0 GBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652692534 1073230665 /nfs/dbraw/zinc/23/06/65/1073230665.db2.gz XFUIJJJMKFTLJO-VVLHAWIVSA-N 2 0 382.505 -0.432 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652694136 1073369775 /nfs/dbraw/zinc/36/97/75/1073369775.db2.gz PGZBNNGGULQKHF-BRWVUGGUSA-N 2 0 383.537 -0.802 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652694137 1073369314 /nfs/dbraw/zinc/36/93/14/1073369314.db2.gz PGZBNNGGULQKHF-GVDBMIGSSA-N 2 0 383.537 -0.802 20 0 GBADRP CC[N@H+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000652694541 1073489520 /nfs/dbraw/zinc/48/95/20/1073489520.db2.gz AJJHLXZYIJUVCQ-UHFFFAOYSA-N 2 0 381.521 -0.305 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000652724409 1072325813 /nfs/dbraw/zinc/32/58/13/1072325813.db2.gz AMWUWBDGBYODKJ-FUHWJXTLSA-N 2 0 379.549 -0.023 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652728951 1072393640 /nfs/dbraw/zinc/39/36/40/1072393640.db2.gz IWTRUJVWTDLCBH-RCCFBDPRSA-N 3 0 397.564 -0.317 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000652728958 1072393327 /nfs/dbraw/zinc/39/33/27/1072393327.db2.gz JHDKUXDXKNAIGL-IAGOWNOFSA-N 2 0 382.505 -0.621 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000652729162 1072413815 /nfs/dbraw/zinc/41/38/15/1072413815.db2.gz UQTVAGVDUJHJDD-KZNAEPCWSA-N 2 0 395.548 -0.563 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652729755 1072483639 /nfs/dbraw/zinc/48/36/39/1072483639.db2.gz TXLDEDMQHIXKLO-BRWVUGGUSA-N 2 0 382.505 -0.621 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652730165 1072613725 /nfs/dbraw/zinc/61/37/25/1072613725.db2.gz KGMJEDUYSLLTGY-BFYDXBDKSA-N 2 0 382.505 -0.480 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730364 1072621228 /nfs/dbraw/zinc/62/12/28/1072621228.db2.gz VMCHJIJQIZSCMM-BSDSXHPESA-N 2 0 395.548 -0.707 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652730491 1072631059 /nfs/dbraw/zinc/63/10/59/1072631059.db2.gz CODNOMSQJXYMNX-NVXWUHKLSA-N 2 0 384.521 -0.232 20 0 GBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000652731723 1072717558 /nfs/dbraw/zinc/71/75/58/1072717558.db2.gz SNHOESUYGYKFNW-KRWDZBQOSA-N 2 0 396.532 -0.216 20 0 GBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000652731751 1072718103 /nfs/dbraw/zinc/71/81/03/1072718103.db2.gz TXLDEDMQHIXKLO-GVDBMIGSSA-N 2 0 382.505 -0.621 20 0 GBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000652731863 1072720402 /nfs/dbraw/zinc/72/04/02/1072720402.db2.gz XJTZXOMUGHPJLC-INIZCTEOSA-N 2 0 381.521 -0.223 20 0 GBADRP CN1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652736908 1072847748 /nfs/dbraw/zinc/84/77/48/1072847748.db2.gz SWFSKQMKPMZFEV-VQTJNVASSA-N 2 0 399.539 -0.122 20 0 GBADRP CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652736909 1072847864 /nfs/dbraw/zinc/84/78/64/1072847864.db2.gz SWFSKQMKPMZFEV-WOJBJXKFSA-N 2 0 399.539 -0.122 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC000653366246 1072847648 /nfs/dbraw/zinc/84/76/48/1072847648.db2.gz WJWMCHAKWMYHJA-UHFFFAOYSA-N 2 0 393.532 -0.258 20 0 GBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369089 1072908472 /nfs/dbraw/zinc/90/84/72/1072908472.db2.gz JUPITGHTIICIPU-CALCHBBNSA-N 2 0 395.548 -0.297 20 0 GBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369091 1072908380 /nfs/dbraw/zinc/90/83/80/1072908380.db2.gz JUPITGHTIICIPU-IRXDYDNUSA-N 2 0 395.548 -0.297 20 0 GBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653371488 1072914012 /nfs/dbraw/zinc/91/40/12/1072914012.db2.gz LNWLPDKKPQPCSY-KRWDZBQOSA-N 2 0 395.548 -0.010 20 0 GBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653382409 1072963574 /nfs/dbraw/zinc/96/35/74/1072963574.db2.gz MPLKMXYEIQHTRL-ZACQAIPSSA-N 2 0 395.548 -0.299 20 0 GBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653384371 1072966534 /nfs/dbraw/zinc/96/65/34/1072966534.db2.gz QXUMRLFRRKAXIG-KRWDZBQOSA-N 2 0 395.548 -0.010 20 0 GBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653398314 1073009714 /nfs/dbraw/zinc/00/97/14/1073009714.db2.gz MAAVXCUVHHDNLW-INIZCTEOSA-N 2 0 381.521 -0.401 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1=O ZINC000653430414 1073359313 /nfs/dbraw/zinc/35/93/13/1073359313.db2.gz DHJTVGLEZKFVFJ-INIZCTEOSA-N 2 0 379.505 -0.648 20 0 GBADRP C[NH+](C)C(C)(C)CNC(=O)CS(=O)(=O)CC(=O)NCC(C)(C)[NH+](C)C ZINC000654389743 530101361 /nfs/dbraw/zinc/10/13/61/530101361.db2.gz HWVOJUQLDGNKBA-UHFFFAOYSA-N 2 0 378.539 -0.686 20 0 GBADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000654906906 1072148647 /nfs/dbraw/zinc/14/86/47/1072148647.db2.gz GQDOQGXSTLINFG-JKSUJKDBSA-N 2 0 376.457 -0.157 20 0 GBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000654906997 1072149442 /nfs/dbraw/zinc/14/94/42/1072149442.db2.gz KUQSVLFBLIGQLS-JKSUJKDBSA-N 2 0 376.457 -0.157 20 0 GBADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907217 1072149484 /nfs/dbraw/zinc/14/94/84/1072149484.db2.gz WZVDWGFPLJJZSM-LSDHHAIUSA-N 2 0 376.457 -0.027 20 0 GBADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654907340 1072149521 /nfs/dbraw/zinc/14/95/21/1072149521.db2.gz CBWXWVSURZJQGR-JKSUJKDBSA-N 2 0 390.488 -0.244 20 0 GBADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000654908254 1072149531 /nfs/dbraw/zinc/14/95/31/1072149531.db2.gz VEMYTHATZJJXOF-LSDHHAIUSA-N 2 0 394.447 -0.018 20 0 GBADRP C[NH+](C)CC(C)(C)NC(=O)CS(=O)(=O)CC(=O)NC(C)(C)C[NH+](C)C ZINC000655141433 530110827 /nfs/dbraw/zinc/11/08/27/530110827.db2.gz VGIYGQYIQRTZJM-UHFFFAOYSA-N 2 0 378.539 -0.686 20 0 GBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655958505 1072345966 /nfs/dbraw/zinc/34/59/66/1072345966.db2.gz LLYCWXPMDSYWII-CVEARBPZSA-N 2 0 387.488 -0.042 20 0 GBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655958508 1072345658 /nfs/dbraw/zinc/34/56/58/1072345658.db2.gz LLYCWXPMDSYWII-HOTGVXAUSA-N 2 0 387.488 -0.042 20 0 GBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655958510 1072346987 /nfs/dbraw/zinc/34/69/87/1072346987.db2.gz LLYCWXPMDSYWII-HZPDHXFCSA-N 2 0 387.488 -0.042 20 0 GBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655958512 1072347132 /nfs/dbraw/zinc/34/71/32/1072347132.db2.gz LLYCWXPMDSYWII-JKSUJKDBSA-N 2 0 387.488 -0.042 20 0 GBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000656023636 1072379978 /nfs/dbraw/zinc/37/99/78/1072379978.db2.gz FYXPAHUKVRCKTC-VSHCVGGASA-N 2 0 376.501 -0.466 20 0 GBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000656025735 1072380833 /nfs/dbraw/zinc/38/08/33/1072380833.db2.gz RTCIGPXUMBJKGI-FRRDWIJNSA-N 2 0 379.427 -0.605 20 0 GBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000656025736 1072380721 /nfs/dbraw/zinc/38/07/21/1072380721.db2.gz RTCIGPXUMBJKGI-XQQFMLRXSA-N 2 0 379.427 -0.605 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656028212 1072381904 /nfs/dbraw/zinc/38/19/04/1072381904.db2.gz IQKWEMGHEULZLB-BBWFWOEESA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656028213 1072382200 /nfs/dbraw/zinc/38/22/00/1072382200.db2.gz IQKWEMGHEULZLB-GVDBMIGSSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656028214 1072382093 /nfs/dbraw/zinc/38/20/93/1072382093.db2.gz IQKWEMGHEULZLB-ULQDDVLXSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656028215 1072381931 /nfs/dbraw/zinc/38/19/31/1072381931.db2.gz IQKWEMGHEULZLB-YESZJQIVSA-N 2 0 393.532 -0.034 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656029332 1072381554 /nfs/dbraw/zinc/38/15/54/1072381554.db2.gz YLWNPMLFBVFADL-BZUAXINKSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656029333 1072381982 /nfs/dbraw/zinc/38/19/82/1072381982.db2.gz YLWNPMLFBVFADL-OAGGEKHMSA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656029334 1072382843 /nfs/dbraw/zinc/38/28/43/1072382843.db2.gz YLWNPMLFBVFADL-OWCLPIDISA-N 2 0 379.505 -0.567 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656029335 1072383001 /nfs/dbraw/zinc/38/30/01/1072383001.db2.gz YLWNPMLFBVFADL-PMPSAXMXSA-N 2 0 379.505 -0.567 20 0 GBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000656042040 1072391418 /nfs/dbraw/zinc/39/14/18/1072391418.db2.gz UVLLRAZYYQFKJF-HRCADAONSA-N 2 0 379.505 -0.887 20 0 GBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000656042041 1072391014 /nfs/dbraw/zinc/39/10/14/1072391014.db2.gz UVLLRAZYYQFKJF-OAGGEKHMSA-N 2 0 379.505 -0.887 20 0 GBADRP O=C(C(=O)N1CCC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656060610 1072396122 /nfs/dbraw/zinc/39/61/22/1072396122.db2.gz IBEZNOCMTKXQQZ-RBUKOAKNSA-N 2 0 386.496 -0.002 20 0 GBADRP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656062807 1072397655 /nfs/dbraw/zinc/39/76/55/1072397655.db2.gz QCAIKHCXOVWRQN-CEXWTWQISA-N 2 0 386.496 -0.003 20 0 GBADRP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656062811 1072397541 /nfs/dbraw/zinc/39/75/41/1072397541.db2.gz QCAIKHCXOVWRQN-GBESFXJTSA-N 2 0 386.496 -0.003 20 0 GBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000656062901 1072396527 /nfs/dbraw/zinc/39/65/27/1072396527.db2.gz UFFUDVOQLOWKHO-ZWKOTPCHSA-N 2 0 378.517 -0.012 20 0 GBADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656063937 1072397691 /nfs/dbraw/zinc/39/76/91/1072397691.db2.gz IZMONTMDEARBDN-DLBZAZTESA-N 2 0 392.475 -0.007 20 0 GBADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656066759 1072399805 /nfs/dbraw/zinc/39/98/05/1072399805.db2.gz HWNIPGXVZKZXLJ-ZWKOTPCHSA-N 2 0 392.475 -0.007 20 0 GBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000656067832 1072399581 /nfs/dbraw/zinc/39/95/81/1072399581.db2.gz NMMCRVAOLPOFBW-ZWKOTPCHSA-N 2 0 394.516 -0.775 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656069763 1072400874 /nfs/dbraw/zinc/40/08/74/1072400874.db2.gz ONZUJAJLAJDPNB-IYBDPMFKSA-N 2 0 381.521 -0.545 20 0 GBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)c1 ZINC000656069835 1072400792 /nfs/dbraw/zinc/40/07/92/1072400792.db2.gz QQVQMCHUOMBQCX-LSDHHAIUSA-N 2 0 389.456 -0.984 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069951 1072400524 /nfs/dbraw/zinc/40/05/24/1072400524.db2.gz UTRIWKFTQFUIHV-YESZJQIVSA-N 2 0 385.553 -0.448 20 0 GBADRP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656069952 1072400814 /nfs/dbraw/zinc/40/08/14/1072400814.db2.gz UTRIWKFTQFUIHV-ZACQAIPSSA-N 2 0 385.553 -0.448 20 0 GBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC000656072821 1072402785 /nfs/dbraw/zinc/40/27/85/1072402785.db2.gz YXFBRMNVVYWGMM-ZGUYJTEBSA-N 2 0 378.517 -0.013 20 0 GBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656075394 1072404423 /nfs/dbraw/zinc/40/44/23/1072404423.db2.gz KZMFFCWYXZBWFY-LSDHHAIUSA-N 2 0 389.456 -0.984 20 0 GBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656075623 1072403712 /nfs/dbraw/zinc/40/37/12/1072403712.db2.gz PTQBIKKMIXKIDI-YESZJQIVSA-N 2 0 396.532 -0.077 20 0 GBADRP C[C@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656075624 1072403732 /nfs/dbraw/zinc/40/37/32/1072403732.db2.gz PTQBIKKMIXKIDI-ZACQAIPSSA-N 2 0 396.532 -0.077 20 0 GBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075669 1072404242 /nfs/dbraw/zinc/40/42/42/1072404242.db2.gz QWDCTRGPPLXMHU-LSDHHAIUSA-N 2 0 380.514 -0.084 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079527 1072405248 /nfs/dbraw/zinc/40/52/48/1072405248.db2.gz ISPBLBSWIYFJLG-BBWFWOEESA-N 2 0 382.505 -0.777 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079530 1072405598 /nfs/dbraw/zinc/40/55/98/1072405598.db2.gz ISPBLBSWIYFJLG-GVDBMIGSSA-N 2 0 382.505 -0.777 20 0 GBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656079540 1072406354 /nfs/dbraw/zinc/40/63/54/1072406354.db2.gz PKRVVDMOYMPRHU-JKSUJKDBSA-N 2 0 382.505 -0.777 20 0 GBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000656079624 1072406118 /nfs/dbraw/zinc/40/61/18/1072406118.db2.gz WQFBEHWCUHPZIP-DLBZAZTESA-N 2 0 394.516 -0.633 20 0 GBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084541 1072409406 /nfs/dbraw/zinc/40/94/06/1072409406.db2.gz XCURLIHGEWCFDC-JKSUJKDBSA-N 2 0 380.514 -0.084 20 0 GBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000656086031 1072410231 /nfs/dbraw/zinc/41/02/31/1072410231.db2.gz PUZMLCIHWCULCD-VNTMZGSJSA-N 2 0 398.507 -0.003 20 0 GBADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656088891 1072410637 /nfs/dbraw/zinc/41/06/37/1072410637.db2.gz OOMNTWAJKMXDSJ-JKSUJKDBSA-N 2 0 378.473 -0.163 20 0 GBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000656103172 1072413945 /nfs/dbraw/zinc/41/39/45/1072413945.db2.gz WUOHLPAURCEPHQ-HNNXBMFYSA-N 2 0 381.521 -0.367 20 0 GBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000656103173 1072414060 /nfs/dbraw/zinc/41/40/60/1072414060.db2.gz WUOHLPAURCEPHQ-OAHLLOKOSA-N 2 0 381.521 -0.367 20 0 GBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1c1ccc(F)cc1 ZINC000656104665 1072413242 /nfs/dbraw/zinc/41/32/42/1072413242.db2.gz UFFXBTAVIXLAOO-XWTMOSNGSA-N 2 0 390.459 -0.254 20 0 GBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1c1ccccc1F ZINC000656104995 1072413843 /nfs/dbraw/zinc/41/38/43/1072413843.db2.gz XAHTYPDEQVFCPU-UICACZKSSA-N 2 0 376.432 -0.644 20 0 GBADRP O[C@@H]1C[C@H]2CN(c3nc(N4CC[N@@H+]5C[C@H](O)C[C@H]5C4)ncc3Cl)CC[NH+]2C1 ZINC000656218662 1072461447 /nfs/dbraw/zinc/46/14/47/1072461447.db2.gz FODJATZJVBWVEY-BYNSBNAKSA-N 2 0 394.907 -0.360 20 0 GBADRP Cc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1C ZINC000656218961 1072461687 /nfs/dbraw/zinc/46/16/87/1072461687.db2.gz HSKDAFDYFQWODR-WNRNVDISSA-N 2 0 388.516 -0.396 20 0 GBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)c1 ZINC000656287343 1072488192 /nfs/dbraw/zinc/48/81/92/1072488192.db2.gz WAKBYTHFDZNUTQ-JZXOWHBKSA-N 2 0 390.484 -0.309 20 0 GBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)c1 ZINC000656287345 1072488467 /nfs/dbraw/zinc/48/84/67/1072488467.db2.gz WAKBYTHFDZNUTQ-LZLYRXPVSA-N 2 0 390.484 -0.309 20 0 GBADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656291738 1072492011 /nfs/dbraw/zinc/49/20/11/1072492011.db2.gz MFOUVPZGJIOGQE-ZWKOTPCHSA-N 2 0 387.484 -0.560 20 0 GBADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656292464 1072494409 /nfs/dbraw/zinc/49/44/09/1072494409.db2.gz CGSJWGOWCDTGHR-ZWKOTPCHSA-N 2 0 387.484 -0.560 20 0 GBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656292885 1072494267 /nfs/dbraw/zinc/49/42/67/1072494267.db2.gz HAHATZNGITXLJW-DLBZAZTESA-N 2 0 390.484 -0.479 20 0 GBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000656294229 1072494361 /nfs/dbraw/zinc/49/43/61/1072494361.db2.gz SCHQNWBKIFLOML-DLBZAZTESA-N 2 0 390.484 -0.479 20 0 GBADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000656294540 1072494171 /nfs/dbraw/zinc/49/41/71/1072494171.db2.gz UNFMOUDAXHCRNK-CALCHBBNSA-N 2 0 388.516 -0.094 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295194 1072493179 /nfs/dbraw/zinc/49/31/79/1072493179.db2.gz GIHJCHPGUKZAAP-BBWFWOEESA-N 2 0 378.448 -0.178 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)cc1 ZINC000656295195 1072493088 /nfs/dbraw/zinc/49/30/88/1072493088.db2.gz GIHJCHPGUKZAAP-GVDBMIGSSA-N 2 0 378.448 -0.178 20 0 GBADRP O=C(NCCC[NH+]1CCc2ccccc2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656295520 1072495430 /nfs/dbraw/zinc/49/54/30/1072495430.db2.gz JYZYRNPXEJGXTQ-RBUKOAKNSA-N 2 0 386.496 -0.172 20 0 GBADRP O=C(NCCN1CCc2sccc2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302405 1072499505 /nfs/dbraw/zinc/49/95/05/1072499505.db2.gz STGVZVLKENNRST-LSDHHAIUSA-N 2 0 378.498 -0.500 20 0 GBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304942 1072501021 /nfs/dbraw/zinc/50/10/21/1072501021.db2.gz LCRZIMPMMDVEDC-DLBZAZTESA-N 2 0 390.484 -0.479 20 0 GBADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000656305597 1072501263 /nfs/dbraw/zinc/50/12/63/1072501263.db2.gz SIMJQTBUEZNTIZ-WOVMCDHWSA-N 2 0 388.516 -0.094 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656307560 1072502350 /nfs/dbraw/zinc/50/23/50/1072502350.db2.gz QTDZVIFJTUFGFL-BRWVUGGUSA-N 2 0 393.532 -0.177 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656307562 1072501948 /nfs/dbraw/zinc/50/19/48/1072501948.db2.gz QTDZVIFJTUFGFL-IKGGRYGDSA-N 2 0 393.532 -0.177 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656307564 1072502485 /nfs/dbraw/zinc/50/24/85/1072502485.db2.gz QTDZVIFJTUFGFL-IXDOHACOSA-N 2 0 393.532 -0.177 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656307566 1072502680 /nfs/dbraw/zinc/50/26/80/1072502680.db2.gz QTDZVIFJTUFGFL-ZACQAIPSSA-N 2 0 393.532 -0.177 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308353 1072503224 /nfs/dbraw/zinc/50/32/24/1072503224.db2.gz COXGFGGCSZUPCL-OWCLPIDISA-N 2 0 381.521 -0.498 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308354 1072503969 /nfs/dbraw/zinc/50/39/69/1072503969.db2.gz COXGFGGCSZUPCL-XHSDSOJGSA-N 2 0 381.521 -0.498 20 0 GBADRP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309747 1072503173 /nfs/dbraw/zinc/50/31/73/1072503173.db2.gz UMGHPFWDNVHPBN-CEXWTWQISA-N 2 0 386.496 -0.098 20 0 GBADRP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656309748 1072503123 /nfs/dbraw/zinc/50/31/23/1072503123.db2.gz UMGHPFWDNVHPBN-GBESFXJTSA-N 2 0 386.496 -0.098 20 0 GBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656310576 1072504578 /nfs/dbraw/zinc/50/45/78/1072504578.db2.gz ACAZVSVEVARLCH-JKSUJKDBSA-N 2 0 380.489 -0.975 20 0 GBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656313319 1072507060 /nfs/dbraw/zinc/50/70/60/1072507060.db2.gz VTFVGFJIDSDIMH-LSDHHAIUSA-N 2 0 382.505 -0.731 20 0 GBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000656315543 1072508660 /nfs/dbraw/zinc/50/86/60/1072508660.db2.gz KZKKTNGPPNEXCA-FJIDUMEYSA-N 2 0 396.532 -0.483 20 0 GBADRP C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1F ZINC000656316755 1072509061 /nfs/dbraw/zinc/50/90/61/1072509061.db2.gz ULJPKLSILIQJTJ-JKSUJKDBSA-N 2 0 378.448 -0.219 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)Cc2ccccc2C1 ZINC000656319273 1072510707 /nfs/dbraw/zinc/51/07/07/1072510707.db2.gz RAKDAXUZYHFZBZ-ZWKOTPCHSA-N 2 0 386.496 -0.521 20 0 GBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322081 1072511683 /nfs/dbraw/zinc/51/16/83/1072511683.db2.gz JZIROURDYWUJBG-ZWKOTPCHSA-N 2 0 387.484 -0.308 20 0 GBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322694 1072513196 /nfs/dbraw/zinc/51/31/96/1072513196.db2.gz VXASPEKSRXNRKR-GDAAHCPNSA-N 2 0 386.496 -0.100 20 0 GBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322695 1072513307 /nfs/dbraw/zinc/51/33/07/1072513307.db2.gz VXASPEKSRXNRKR-KANFNMMFSA-N 2 0 386.496 -0.100 20 0 GBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322696 1072513725 /nfs/dbraw/zinc/51/37/25/1072513725.db2.gz VXASPEKSRXNRKR-LULLPPNCSA-N 2 0 386.496 -0.100 20 0 GBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656322697 1072513557 /nfs/dbraw/zinc/51/35/57/1072513557.db2.gz VXASPEKSRXNRKR-QXCFHYIPSA-N 2 0 386.496 -0.100 20 0 GBADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328294 1072516904 /nfs/dbraw/zinc/51/69/04/1072516904.db2.gz RHYBYTAKQAXDTI-BSDSXHPESA-N 2 0 394.516 -0.852 20 0 GBADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328297 1072516386 /nfs/dbraw/zinc/51/63/86/1072516386.db2.gz RHYBYTAKQAXDTI-MHORFTMASA-N 2 0 394.516 -0.852 20 0 GBADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328298 1072516791 /nfs/dbraw/zinc/51/67/91/1072516791.db2.gz RHYBYTAKQAXDTI-MLHJIOFPSA-N 2 0 394.516 -0.852 20 0 GBADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328300 1072516709 /nfs/dbraw/zinc/51/67/09/1072516709.db2.gz RHYBYTAKQAXDTI-XWTMOSNGSA-N 2 0 394.516 -0.852 20 0 GBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656328867 1072516761 /nfs/dbraw/zinc/51/67/61/1072516761.db2.gz FHTTXOQZZXXYLR-DLBZAZTESA-N 2 0 382.505 -0.731 20 0 GBADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000656338755 1072521809 /nfs/dbraw/zinc/52/18/09/1072521809.db2.gz KPGCETZOXMCOPW-CALCHBBNSA-N 2 0 395.548 -0.644 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000656356851 1072527339 /nfs/dbraw/zinc/52/73/39/1072527339.db2.gz HJLUANUXFSUMGG-CVEARBPZSA-N 2 0 379.505 -0.648 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000656356852 1072527861 /nfs/dbraw/zinc/52/78/61/1072527861.db2.gz HJLUANUXFSUMGG-HOTGVXAUSA-N 2 0 379.505 -0.648 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000656356853 1072527191 /nfs/dbraw/zinc/52/71/91/1072527191.db2.gz HJLUANUXFSUMGG-HZPDHXFCSA-N 2 0 379.505 -0.648 20 0 GBADRP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000656356854 1072527213 /nfs/dbraw/zinc/52/72/13/1072527213.db2.gz HJLUANUXFSUMGG-JKSUJKDBSA-N 2 0 379.505 -0.648 20 0 GBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1=O ZINC000656479589 1072567198 /nfs/dbraw/zinc/56/71/98/1072567198.db2.gz VCRITWZKAOFEEO-BBWFWOEESA-N 2 0 398.463 -0.208 20 0 GBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1=O ZINC000656479590 1072567102 /nfs/dbraw/zinc/56/71/02/1072567102.db2.gz VCRITWZKAOFEEO-IXDOHACOSA-N 2 0 398.463 -0.208 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657839071 1072547851 /nfs/dbraw/zinc/54/78/51/1072547851.db2.gz LFZMNWLSHXMSPH-UHFFFAOYSA-N 2 0 375.473 -0.137 20 0 GBADRP CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000658359175 1072668341 /nfs/dbraw/zinc/66/83/41/1072668341.db2.gz AUYLWWDVPSEQKR-HNNXBMFYSA-N 2 0 393.492 -0.948 20 0 GBADRP CCN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658359176 1072668709 /nfs/dbraw/zinc/66/87/09/1072668709.db2.gz AUYLWWDVPSEQKR-OAHLLOKOSA-N 2 0 393.492 -0.948 20 0 GBADRP CC1(C)CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCN1CCO ZINC000658393089 1072748619 /nfs/dbraw/zinc/74/86/19/1072748619.db2.gz OWNLYKHMGCGULM-UHFFFAOYSA-N 2 0 396.532 -0.528 20 0 GBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658442044 1072679493 /nfs/dbraw/zinc/67/94/93/1072679493.db2.gz NUCMYBUJTUWUSS-GOSISDBHSA-N 2 0 387.484 -0.212 20 0 GBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658442046 1072679230 /nfs/dbraw/zinc/67/92/30/1072679230.db2.gz NUCMYBUJTUWUSS-SFHVURJKSA-N 2 0 387.484 -0.212 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658522129 1072698544 /nfs/dbraw/zinc/69/85/44/1072698544.db2.gz MDGKKVPGRICARI-MSOLQXFVSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658522130 1072698521 /nfs/dbraw/zinc/69/85/21/1072698521.db2.gz MDGKKVPGRICARI-QZTJIDSGSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522132 1072698026 /nfs/dbraw/zinc/69/80/26/1072698026.db2.gz MDGKKVPGRICARI-ROUUACIJSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658522135 1072698379 /nfs/dbraw/zinc/69/83/79/1072698379.db2.gz MDGKKVPGRICARI-ZWKOTPCHSA-N 2 0 396.532 -0.387 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658534401 1072698471 /nfs/dbraw/zinc/69/84/71/1072698471.db2.gz BCSCDUOQNLMODH-INIZCTEOSA-N 2 0 395.548 -0.012 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658534402 1072698122 /nfs/dbraw/zinc/69/81/22/1072698122.db2.gz BCSCDUOQNLMODH-MRXNPFEDSA-N 2 0 395.548 -0.012 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658534896 1072702295 /nfs/dbraw/zinc/70/22/95/1072702295.db2.gz FIAYPJZVMRQBDN-INIZCTEOSA-N 2 0 381.521 -0.591 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658534897 1072702950 /nfs/dbraw/zinc/70/29/50/1072702950.db2.gz FIAYPJZVMRQBDN-MRXNPFEDSA-N 2 0 381.521 -0.591 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658535756 1072703308 /nfs/dbraw/zinc/70/33/08/1072703308.db2.gz JRLDNIBOPGGJKX-INIZCTEOSA-N 2 0 393.532 -0.258 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000658535757 1072703681 /nfs/dbraw/zinc/70/36/81/1072703681.db2.gz JRLDNIBOPGGJKX-MRXNPFEDSA-N 2 0 393.532 -0.258 20 0 GBADRP CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000658537477 1072700101 /nfs/dbraw/zinc/70/01/01/1072700101.db2.gz XERMPHDWEJGJNR-HNNXBMFYSA-N 2 0 384.525 -0.848 20 0 GBADRP CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000658537480 1072700134 /nfs/dbraw/zinc/70/01/34/1072700134.db2.gz XERMPHDWEJGJNR-OAHLLOKOSA-N 2 0 384.525 -0.848 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658541182 1072701676 /nfs/dbraw/zinc/70/16/76/1072701676.db2.gz BUPCDZFMNVSAMD-GOSISDBHSA-N 2 0 398.548 -0.139 20 0 GBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658541183 1072701710 /nfs/dbraw/zinc/70/17/10/1072701710.db2.gz BUPCDZFMNVSAMD-SFHVURJKSA-N 2 0 398.548 -0.139 20 0 GBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658569810 1072712092 /nfs/dbraw/zinc/71/20/92/1072712092.db2.gz DNGIZOFMXHRGIG-GOSISDBHSA-N 2 0 397.564 -0.349 20 0 GBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658569811 1072712604 /nfs/dbraw/zinc/71/26/04/1072712604.db2.gz DNGIZOFMXHRGIG-SFHVURJKSA-N 2 0 397.564 -0.349 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000658570922 1072713462 /nfs/dbraw/zinc/71/34/62/1072713462.db2.gz RYOJUYJPHYVCKX-UHFFFAOYSA-N 2 0 387.444 -0.316 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000658576980 1072714418 /nfs/dbraw/zinc/71/44/18/1072714418.db2.gz LEHFHNUBCSYQMF-GOSISDBHSA-N 2 0 398.548 -0.139 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000658576985 1072714153 /nfs/dbraw/zinc/71/41/53/1072714153.db2.gz LEHFHNUBCSYQMF-SFHVURJKSA-N 2 0 398.548 -0.139 20 0 GBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000658611828 1072751082 /nfs/dbraw/zinc/75/10/82/1072751082.db2.gz JGTBEGUMLLILJT-AEFFLSMTSA-N 2 0 378.517 -0.012 20 0 GBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658611830 1072751291 /nfs/dbraw/zinc/75/12/91/1072751291.db2.gz JGTBEGUMLLILJT-FUHWJXTLSA-N 2 0 378.517 -0.012 20 0 GBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000658611833 1072751324 /nfs/dbraw/zinc/75/13/24/1072751324.db2.gz JGTBEGUMLLILJT-SJLPKXTDSA-N 2 0 378.517 -0.012 20 0 GBADRP O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658611838 1072751188 /nfs/dbraw/zinc/75/11/88/1072751188.db2.gz JGTBEGUMLLILJT-WMZOPIPTSA-N 2 0 378.517 -0.012 20 0 GBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658643634 1072764411 /nfs/dbraw/zinc/76/44/11/1072764411.db2.gz JWYRHYDIOUPRKL-BPQIPLTHSA-N 2 0 378.517 -0.013 20 0 GBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643636 1072764756 /nfs/dbraw/zinc/76/47/56/1072764756.db2.gz JWYRHYDIOUPRKL-CGTJXYLNSA-N 2 0 378.517 -0.013 20 0 GBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000658643639 1072764606 /nfs/dbraw/zinc/76/46/06/1072764606.db2.gz JWYRHYDIOUPRKL-KBAYOESNSA-N 2 0 378.517 -0.013 20 0 GBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000658643642 1072765033 /nfs/dbraw/zinc/76/50/33/1072765033.db2.gz JWYRHYDIOUPRKL-RYQLBKOJSA-N 2 0 378.517 -0.013 20 0 GBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000658674228 1072771296 /nfs/dbraw/zinc/77/12/96/1072771296.db2.gz KQYHSISWHZOVIP-JWTNVVGKSA-N 2 0 377.533 -0.224 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676170 1072774209 /nfs/dbraw/zinc/77/42/09/1072774209.db2.gz CSDCCFVKNBYIGI-CVEARBPZSA-N 2 0 393.532 -0.260 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676249 1072774462 /nfs/dbraw/zinc/77/44/62/1072774462.db2.gz CSDCCFVKNBYIGI-HOTGVXAUSA-N 2 0 393.532 -0.260 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676251 1072774254 /nfs/dbraw/zinc/77/42/54/1072774254.db2.gz CSDCCFVKNBYIGI-HZPDHXFCSA-N 2 0 393.532 -0.260 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000658676253 1072774390 /nfs/dbraw/zinc/77/43/90/1072774390.db2.gz CSDCCFVKNBYIGI-JKSUJKDBSA-N 2 0 393.532 -0.260 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)CC[C@H]21 ZINC000658706226 1072783039 /nfs/dbraw/zinc/78/30/39/1072783039.db2.gz SAEVNKIRUGVTAV-BPQIPLTHSA-N 2 0 378.517 -0.013 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)CC[C@H]21 ZINC000658706227 1072783664 /nfs/dbraw/zinc/78/36/64/1072783664.db2.gz SAEVNKIRUGVTAV-KBAYOESNSA-N 2 0 378.517 -0.013 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)CC[C@@H]21 ZINC000658706228 1072784171 /nfs/dbraw/zinc/78/41/71/1072784171.db2.gz SAEVNKIRUGVTAV-NJAFHUGGSA-N 2 0 378.517 -0.013 20 0 GBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)CC[C@@H]21 ZINC000658706229 1072784031 /nfs/dbraw/zinc/78/40/31/1072784031.db2.gz SAEVNKIRUGVTAV-NXHRZFHOSA-N 2 0 378.517 -0.013 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000658779068 1072806054 /nfs/dbraw/zinc/80/60/54/1072806054.db2.gz NORWCBJZLXYNKW-AWEZNQCLSA-N 2 0 393.492 -0.900 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000658779072 1072806224 /nfs/dbraw/zinc/80/62/24/1072806224.db2.gz NORWCBJZLXYNKW-CQSZACIVSA-N 2 0 393.492 -0.900 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803995 1072833902 /nfs/dbraw/zinc/83/39/02/1072833902.db2.gz UVAVBTHKNAEBSL-CVEARBPZSA-N 2 0 379.505 -0.696 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658803996 1072832347 /nfs/dbraw/zinc/83/23/47/1072832347.db2.gz UVAVBTHKNAEBSL-HOTGVXAUSA-N 2 0 379.505 -0.696 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658803997 1072833596 /nfs/dbraw/zinc/83/35/96/1072833596.db2.gz UVAVBTHKNAEBSL-HZPDHXFCSA-N 2 0 379.505 -0.696 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658803998 1072833249 /nfs/dbraw/zinc/83/32/49/1072833249.db2.gz UVAVBTHKNAEBSL-JKSUJKDBSA-N 2 0 379.505 -0.696 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658806019 1072838239 /nfs/dbraw/zinc/83/82/39/1072838239.db2.gz DAXZNCZBBCAFCA-INIZCTEOSA-N 2 0 381.521 -0.448 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658806020 1072838606 /nfs/dbraw/zinc/83/86/06/1072838606.db2.gz DAXZNCZBBCAFCA-MRXNPFEDSA-N 2 0 381.521 -0.448 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658808162 1072839761 /nfs/dbraw/zinc/83/97/61/1072839761.db2.gz UTPGOUFPDDWAGX-INIZCTEOSA-N 2 0 379.505 -0.694 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658808164 1072839714 /nfs/dbraw/zinc/83/97/14/1072839714.db2.gz UTPGOUFPDDWAGX-MRXNPFEDSA-N 2 0 379.505 -0.694 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658825199 1072863782 /nfs/dbraw/zinc/86/37/82/1072863782.db2.gz JTPBBUAMVILTTM-KRWDZBQOSA-N 2 0 393.532 -0.304 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658825200 1072863543 /nfs/dbraw/zinc/86/35/43/1072863543.db2.gz JTPBBUAMVILTTM-QGZVFWFLSA-N 2 0 393.532 -0.304 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658826804 1072867175 /nfs/dbraw/zinc/86/71/75/1072867175.db2.gz SLGKZGBQVUHUHN-KRWDZBQOSA-N 2 0 395.548 -0.058 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826806 1072867782 /nfs/dbraw/zinc/86/77/82/1072867782.db2.gz SLGKZGBQVUHUHN-QGZVFWFLSA-N 2 0 395.548 -0.058 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658826823 1072867106 /nfs/dbraw/zinc/86/71/06/1072867106.db2.gz SPLIIKNJJZGKPV-DLBZAZTESA-N 2 0 393.532 -0.306 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826825 1072867200 /nfs/dbraw/zinc/86/72/00/1072867200.db2.gz SPLIIKNJJZGKPV-IAGOWNOFSA-N 2 0 393.532 -0.306 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658826826 1072867301 /nfs/dbraw/zinc/86/73/01/1072867301.db2.gz SPLIIKNJJZGKPV-IRXDYDNUSA-N 2 0 393.532 -0.306 20 0 GBADRP CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658826828 1072867381 /nfs/dbraw/zinc/86/73/81/1072867381.db2.gz SPLIIKNJJZGKPV-SJORKVTESA-N 2 0 393.532 -0.306 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000658901511 1072942436 /nfs/dbraw/zinc/94/24/36/1072942436.db2.gz KYQQLNMCJJFEQP-MSOLQXFVSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000658901512 1072941978 /nfs/dbraw/zinc/94/19/78/1072941978.db2.gz KYQQLNMCJJFEQP-QZTJIDSGSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000658901513 1072941849 /nfs/dbraw/zinc/94/18/49/1072941849.db2.gz KYQQLNMCJJFEQP-ROUUACIJSA-N 2 0 396.532 -0.387 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000658901514 1072942344 /nfs/dbraw/zinc/94/23/44/1072942344.db2.gz KYQQLNMCJJFEQP-ZWKOTPCHSA-N 2 0 396.532 -0.387 20 0 GBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902911 1072942976 /nfs/dbraw/zinc/94/29/76/1072942976.db2.gz IOAISFFYVBRCQO-FXAWDEMLSA-N 2 0 378.517 -0.012 20 0 GBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)C1 ZINC000658902912 1072943164 /nfs/dbraw/zinc/94/31/64/1072943164.db2.gz IOAISFFYVBRCQO-PXNSSMCTSA-N 2 0 378.517 -0.012 20 0 GBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902913 1072943364 /nfs/dbraw/zinc/94/33/64/1072943364.db2.gz IOAISFFYVBRCQO-XLIONFOSSA-N 2 0 378.517 -0.012 20 0 GBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)C1 ZINC000658902914 1072942790 /nfs/dbraw/zinc/94/27/90/1072942790.db2.gz IOAISFFYVBRCQO-YLJYHZDGSA-N 2 0 378.517 -0.012 20 0 GBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000658904794 1072943936 /nfs/dbraw/zinc/94/39/36/1072943936.db2.gz VVXOKIMQMFAPSN-GOSISDBHSA-N 2 0 397.564 -0.614 20 0 GBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000658904795 1072943718 /nfs/dbraw/zinc/94/37/18/1072943718.db2.gz VVXOKIMQMFAPSN-SFHVURJKSA-N 2 0 397.564 -0.614 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CCO1 ZINC000658927123 1072960951 /nfs/dbraw/zinc/96/09/51/1072960951.db2.gz LXXTVGKLJFVUBS-KRWDZBQOSA-N 2 0 396.532 -0.121 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CCO1 ZINC000658927127 1072961876 /nfs/dbraw/zinc/96/18/76/1072961876.db2.gz LXXTVGKLJFVUBS-QGZVFWFLSA-N 2 0 396.532 -0.121 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCO1 ZINC000658999673 1072979721 /nfs/dbraw/zinc/97/97/21/1072979721.db2.gz NPMPDQKJHDREJG-HNNXBMFYSA-N 2 0 380.493 -0.048 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCO1 ZINC000658999675 1072979712 /nfs/dbraw/zinc/97/97/12/1072979712.db2.gz NPMPDQKJHDREJG-OAHLLOKOSA-N 2 0 380.493 -0.048 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCO1 ZINC000659000936 1072980632 /nfs/dbraw/zinc/98/06/32/1072980632.db2.gz MVMKVQQSUWIVRR-INIZCTEOSA-N 2 0 380.493 -0.048 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCO1 ZINC000659000938 1072981009 /nfs/dbraw/zinc/98/10/09/1072981009.db2.gz MVMKVQQSUWIVRR-MRXNPFEDSA-N 2 0 380.493 -0.048 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659023084 1072983734 /nfs/dbraw/zinc/98/37/34/1072983734.db2.gz ZBZCGDGESHSKQX-UHFFFAOYSA-N 2 0 378.481 -0.630 20 0 GBADRP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000659094399 1072994957 /nfs/dbraw/zinc/99/49/57/1072994957.db2.gz KTHPAIUJGGNHQF-HNNXBMFYSA-N 2 0 376.505 -0.164 20 0 GBADRP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000659094400 1072995382 /nfs/dbraw/zinc/99/53/82/1072995382.db2.gz KTHPAIUJGGNHQF-OAHLLOKOSA-N 2 0 376.505 -0.164 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659097077 1072995463 /nfs/dbraw/zinc/99/54/63/1072995463.db2.gz ZQBCOGYMRMNUIL-CYBMUJFWSA-N 2 0 375.477 -0.186 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659097078 1072996260 /nfs/dbraw/zinc/99/62/60/1072996260.db2.gz ZQBCOGYMRMNUIL-ZDUSSCGKSA-N 2 0 375.477 -0.186 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000659098704 1072995478 /nfs/dbraw/zinc/99/54/78/1072995478.db2.gz CTQOZXWAGHDTFM-AWEZNQCLSA-N 2 0 390.488 -0.686 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000659098705 1072995017 /nfs/dbraw/zinc/99/50/17/1072995017.db2.gz CTQOZXWAGHDTFM-CQSZACIVSA-N 2 0 390.488 -0.686 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000659098707 1072995248 /nfs/dbraw/zinc/99/52/48/1072995248.db2.gz CVCKPRGHLJSDPV-UHFFFAOYSA-N 2 0 379.461 -0.559 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659098925 1072995433 /nfs/dbraw/zinc/99/54/33/1072995433.db2.gz KSFKMAIYVXNQBG-UHFFFAOYSA-N 2 0 375.473 -0.251 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659098964 1072995414 /nfs/dbraw/zinc/99/54/14/1072995414.db2.gz MDZDTGMTDFCCCB-UHFFFAOYSA-N 2 0 375.473 -0.251 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659099044 1072995442 /nfs/dbraw/zinc/99/54/42/1072995442.db2.gz ONFYLHSLNNDVBD-UHFFFAOYSA-N 2 0 393.463 -0.112 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000659099277 1072995838 /nfs/dbraw/zinc/99/58/38/1072995838.db2.gz XUZJGXFXGAUIPK-UHFFFAOYSA-N 2 0 391.472 -0.415 20 0 GBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)ccc2oc1=O ZINC000659106260 1072997930 /nfs/dbraw/zinc/99/79/30/1072997930.db2.gz KLYKDXMXGHASNQ-UHFFFAOYSA-N 2 0 387.440 -0.037 20 0 GBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)ccc2oc1=O ZINC000659109932 1072999444 /nfs/dbraw/zinc/99/94/44/1072999444.db2.gz SDQPHFIYMWKWRK-CHWSQXEVSA-N 2 0 393.419 -0.008 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000659112166 1073001423 /nfs/dbraw/zinc/00/14/23/1073001423.db2.gz IOCVGLMGDIKQGM-HNNXBMFYSA-N 2 0 377.489 -0.025 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000659112167 1073001379 /nfs/dbraw/zinc/00/13/79/1073001379.db2.gz IOCVGLMGDIKQGM-OAHLLOKOSA-N 2 0 377.489 -0.025 20 0 GBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162831 1073006386 /nfs/dbraw/zinc/00/63/86/1073006386.db2.gz JMTGABSTFSNWTI-MSOLQXFVSA-N 2 0 377.533 -0.079 20 0 GBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162833 1073006178 /nfs/dbraw/zinc/00/61/78/1073006178.db2.gz JMTGABSTFSNWTI-QZTJIDSGSA-N 2 0 377.533 -0.079 20 0 GBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162835 1073005962 /nfs/dbraw/zinc/00/59/62/1073005962.db2.gz JMTGABSTFSNWTI-ROUUACIJSA-N 2 0 377.533 -0.079 20 0 GBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000659162837 1073006015 /nfs/dbraw/zinc/00/60/15/1073006015.db2.gz JMTGABSTFSNWTI-ZWKOTPCHSA-N 2 0 377.533 -0.079 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000659162920 1073006989 /nfs/dbraw/zinc/00/69/89/1073006989.db2.gz ZVRRJYRGTNQQRC-KRWDZBQOSA-N 2 0 393.532 -0.304 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000659162921 1073006861 /nfs/dbraw/zinc/00/68/61/1073006861.db2.gz ZVRRJYRGTNQQRC-QGZVFWFLSA-N 2 0 393.532 -0.304 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)C1 ZINC000659288084 1073016230 /nfs/dbraw/zinc/01/62/30/1073016230.db2.gz ZZIKSYZJIGIJPW-INIZCTEOSA-N 2 0 385.472 -0.136 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cn(CC[NH3+])nn3)c2)C1 ZINC000659288086 1073016336 /nfs/dbraw/zinc/01/63/36/1073016336.db2.gz ZZIKSYZJIGIJPW-MRXNPFEDSA-N 2 0 385.472 -0.136 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000659318508 1073040418 /nfs/dbraw/zinc/04/04/18/1073040418.db2.gz IKLUZWYYFQFMSA-UHFFFAOYSA-N 2 0 395.483 -0.784 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659318524 1073040103 /nfs/dbraw/zinc/04/01/03/1073040103.db2.gz KCIPFFDUMSPSML-GOSISDBHSA-N 3 0 396.580 -0.823 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659318525 1073040708 /nfs/dbraw/zinc/04/07/08/1073040708.db2.gz KCIPFFDUMSPSML-SFHVURJKSA-N 3 0 396.580 -0.823 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000659318531 1073040635 /nfs/dbraw/zinc/04/06/35/1073040635.db2.gz KYVDVOXRIIXJLO-SFHVURJKSA-N 3 0 397.564 -0.491 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000659318550 1073040487 /nfs/dbraw/zinc/04/04/87/1073040487.db2.gz DGAAOGAZNOMRAO-KRWDZBQOSA-N 2 0 383.537 -0.739 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000659318551 1073040545 /nfs/dbraw/zinc/04/05/45/1073040545.db2.gz DGAAOGAZNOMRAO-QGZVFWFLSA-N 2 0 383.537 -0.739 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000659318609 1073040475 /nfs/dbraw/zinc/04/04/75/1073040475.db2.gz LKTDIBPNPQNRAS-UHFFFAOYSA-N 2 0 390.532 -0.322 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000659318620 1073040053 /nfs/dbraw/zinc/04/00/53/1073040053.db2.gz MSXJMQSOSMVMRH-KRWDZBQOSA-N 2 0 395.548 -0.012 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000659318621 1073040085 /nfs/dbraw/zinc/04/00/85/1073040085.db2.gz MSXJMQSOSMVMRH-QGZVFWFLSA-N 2 0 395.548 -0.012 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659318653 1073040669 /nfs/dbraw/zinc/04/06/69/1073040669.db2.gz PMWIZTXBEJKEGR-UHFFFAOYSA-N 3 0 376.505 -0.318 20 0 GBADRP Cc1cc(CN2CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2)no1 ZINC000659318745 1073040460 /nfs/dbraw/zinc/04/04/60/1073040460.db2.gz XSXULAQXRLGDGI-UHFFFAOYSA-N 2 0 394.520 -0.421 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000659324644 1073040097 /nfs/dbraw/zinc/04/00/97/1073040097.db2.gz CLOWIHJFQWIYCG-CVEARBPZSA-N 2 0 379.505 -0.839 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H]1[NH+](C)C ZINC000659324645 1073040267 /nfs/dbraw/zinc/04/02/67/1073040267.db2.gz CLOWIHJFQWIYCG-HOTGVXAUSA-N 2 0 379.505 -0.839 20 0 GBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H]1[NH+](C)C ZINC000659324646 1073040343 /nfs/dbraw/zinc/04/03/43/1073040343.db2.gz CLOWIHJFQWIYCG-HZPDHXFCSA-N 2 0 379.505 -0.839 20 0 GBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H]1[NH+](C)C ZINC000659324647 1073040070 /nfs/dbraw/zinc/04/00/70/1073040070.db2.gz CLOWIHJFQWIYCG-JKSUJKDBSA-N 2 0 379.505 -0.839 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000659324659 1073041392 /nfs/dbraw/zinc/04/13/92/1073041392.db2.gz GJAANFVNKGNYSX-INIZCTEOSA-N 2 0 377.489 -0.940 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000659324660 1073041456 /nfs/dbraw/zinc/04/14/56/1073041456.db2.gz GJAANFVNKGNYSX-MRXNPFEDSA-N 2 0 377.489 -0.940 20 0 GBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)C1 ZINC000659324776 1073040016 /nfs/dbraw/zinc/04/00/16/1073040016.db2.gz QXVSNCCKOSKFGP-FQEVSTJZSA-N 2 0 391.516 -0.693 20 0 GBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)C1 ZINC000659324780 1073040176 /nfs/dbraw/zinc/04/01/76/1073040176.db2.gz QXVSNCCKOSKFGP-HXUWFJFHSA-N 2 0 391.516 -0.693 20 0 GBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000659324998 1073040521 /nfs/dbraw/zinc/04/05/21/1073040521.db2.gz UTMCFBNTDHNUPO-KRWDZBQOSA-N 2 0 393.532 -0.258 20 0 GBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000659325001 1073040723 /nfs/dbraw/zinc/04/07/23/1073040723.db2.gz UTMCFBNTDHNUPO-QGZVFWFLSA-N 2 0 393.532 -0.258 20 0 GBADRP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659345024 1073042382 /nfs/dbraw/zinc/04/23/82/1073042382.db2.gz QMWLQFUPPIVMJX-CGTJXYLNSA-N 2 0 377.533 -0.224 20 0 GBADRP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659345025 1073042880 /nfs/dbraw/zinc/04/28/80/1073042880.db2.gz QMWLQFUPPIVMJX-RYQLBKOJSA-N 2 0 377.533 -0.224 20 0 GBADRP CN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364288 1073044000 /nfs/dbraw/zinc/04/40/00/1073044000.db2.gz BWHDRHWNXMHXKR-MSOLQXFVSA-N 2 0 377.533 -0.080 20 0 GBADRP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659364289 1073043329 /nfs/dbraw/zinc/04/33/29/1073043329.db2.gz BWHDRHWNXMHXKR-QZTJIDSGSA-N 2 0 377.533 -0.080 20 0 GBADRP CN(C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364290 1073043488 /nfs/dbraw/zinc/04/34/88/1073043488.db2.gz BWHDRHWNXMHXKR-ROUUACIJSA-N 2 0 377.533 -0.080 20 0 GBADRP CN(C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659364291 1073043645 /nfs/dbraw/zinc/04/36/45/1073043645.db2.gz BWHDRHWNXMHXKR-ZWKOTPCHSA-N 2 0 377.533 -0.080 20 0 GBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)cn2)CC1 ZINC000659430352 1073048632 /nfs/dbraw/zinc/04/86/32/1073048632.db2.gz JJEQPNSSBUAQQB-UHFFFAOYSA-N 2 0 386.460 -0.213 20 0 GBADRP C[NH+]1CCN(c2cc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)ccn2)CC1 ZINC000659432520 1073048886 /nfs/dbraw/zinc/04/88/86/1073048886.db2.gz ATLZXBGHEUGZOC-UHFFFAOYSA-N 2 0 386.460 -0.213 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659446025 1073049520 /nfs/dbraw/zinc/04/95/20/1073049520.db2.gz LZBCGFAWHPCTAN-UHFFFAOYSA-N 2 0 386.460 -0.213 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659448032 1073049267 /nfs/dbraw/zinc/04/92/67/1073049267.db2.gz JVJBYERNXDROHC-CYBMUJFWSA-N 2 0 379.465 -0.617 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659448033 1073050011 /nfs/dbraw/zinc/05/00/11/1073050011.db2.gz JVJBYERNXDROHC-ZDUSSCGKSA-N 2 0 379.465 -0.617 20 0 GBADRP C[NH+](C)CCOc1cc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccn1 ZINC000659476880 1073051380 /nfs/dbraw/zinc/05/13/80/1073051380.db2.gz XXNVZHKZXGJNLH-UHFFFAOYSA-N 2 0 375.433 -0.024 20 0 GBADRP O=C(CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N1CC[NH2+]CC1 ZINC000659506417 1073053564 /nfs/dbraw/zinc/05/35/64/1073053564.db2.gz AJWIFPYNIQGATB-KRWDZBQOSA-N 2 0 375.473 -0.516 20 0 GBADRP O=C(CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N1CC[NH2+]CC1 ZINC000659506418 1073054144 /nfs/dbraw/zinc/05/41/44/1073054144.db2.gz AJWIFPYNIQGATB-QGZVFWFLSA-N 2 0 375.473 -0.516 20 0 GBADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000659507328 1073054290 /nfs/dbraw/zinc/05/42/90/1073054290.db2.gz HZQSLCMITGVNNZ-IRXDYDNUSA-N 2 0 375.473 -0.128 20 0 GBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531794 1073056233 /nfs/dbraw/zinc/05/62/33/1073056233.db2.gz FHDYHVJRPOJUCG-MSOLQXFVSA-N 2 0 375.517 -0.303 20 0 GBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531796 1073056004 /nfs/dbraw/zinc/05/60/04/1073056004.db2.gz FHDYHVJRPOJUCG-QZTJIDSGSA-N 2 0 375.517 -0.303 20 0 GBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531797 1073055819 /nfs/dbraw/zinc/05/58/19/1073055819.db2.gz FHDYHVJRPOJUCG-ROUUACIJSA-N 2 0 375.517 -0.303 20 0 GBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CC2)C1 ZINC000659531798 1073055891 /nfs/dbraw/zinc/05/58/91/1073055891.db2.gz FHDYHVJRPOJUCG-ZWKOTPCHSA-N 2 0 375.517 -0.303 20 0 GBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535310 1073053520 /nfs/dbraw/zinc/05/35/20/1073053520.db2.gz ZYVBBZPDGARPRE-FXAWDEMLSA-N 2 0 377.533 -0.221 20 0 GBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535311 1073053916 /nfs/dbraw/zinc/05/39/16/1073053916.db2.gz ZYVBBZPDGARPRE-PXNSSMCTSA-N 2 0 377.533 -0.221 20 0 GBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535313 1073053603 /nfs/dbraw/zinc/05/36/03/1073053603.db2.gz ZYVBBZPDGARPRE-XLIONFOSSA-N 2 0 377.533 -0.221 20 0 GBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)C1 ZINC000659535314 1073054849 /nfs/dbraw/zinc/05/48/49/1073054849.db2.gz ZYVBBZPDGARPRE-YLJYHZDGSA-N 2 0 377.533 -0.221 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659540904 1073056502 /nfs/dbraw/zinc/05/65/02/1073056502.db2.gz YAUSRNFUJZLFST-CYBMUJFWSA-N 2 0 396.458 -0.516 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659540906 1073056556 /nfs/dbraw/zinc/05/65/56/1073056556.db2.gz YAUSRNFUJZLFST-ZDUSSCGKSA-N 2 0 396.458 -0.516 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000659542628 1073055879 /nfs/dbraw/zinc/05/58/79/1073055879.db2.gz XXJVXSRKGTZLHL-JTQLQIEISA-N 2 0 377.371 -0.724 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000659542631 1073056449 /nfs/dbraw/zinc/05/64/49/1073056449.db2.gz XXJVXSRKGTZLHL-SNVBAGLBSA-N 2 0 377.371 -0.724 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000659545629 1073056472 /nfs/dbraw/zinc/05/64/72/1073056472.db2.gz RKANTDCNKGRJBM-UHFFFAOYSA-N 2 0 382.553 -0.136 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630464 1073061057 /nfs/dbraw/zinc/06/10/57/1073061057.db2.gz JDCTXHDZBLZCNS-CYBMUJFWSA-N 2 0 377.449 -0.911 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630465 1073061300 /nfs/dbraw/zinc/06/13/00/1073061300.db2.gz JDCTXHDZBLZCNS-ZDUSSCGKSA-N 2 0 377.449 -0.911 20 0 GBADRP CC(C)C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(=O)NCC[NH+](C)C ZINC000659630661 1073061020 /nfs/dbraw/zinc/06/10/20/1073061020.db2.gz LLEREZKMKLECNP-ZDUSSCGKSA-N 2 0 381.481 -0.467 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000659630777 1073061138 /nfs/dbraw/zinc/06/11/38/1073061138.db2.gz VHAFQSCOJKCJBW-UHFFFAOYSA-N 2 0 379.465 -0.568 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000659630943 1073061108 /nfs/dbraw/zinc/06/11/08/1073061108.db2.gz XECISJAUMQWDBS-MRXNPFEDSA-N 2 0 386.456 -0.141 20 0 GBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631982 1073061729 /nfs/dbraw/zinc/06/17/29/1073061729.db2.gz MQXMQNUPUXUECP-HNNXBMFYSA-N 2 0 377.493 -0.048 20 0 GBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631983 1073061153 /nfs/dbraw/zinc/06/11/53/1073061153.db2.gz MQXMQNUPUXUECP-OAHLLOKOSA-N 2 0 377.493 -0.048 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000659633379 1073061289 /nfs/dbraw/zinc/06/12/89/1073061289.db2.gz SMSCBEHFPLCGTP-UHFFFAOYSA-N 2 0 377.449 -0.910 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659633741 1073062665 /nfs/dbraw/zinc/06/26/65/1073062665.db2.gz XOEMXFMTSNICNX-UHFFFAOYSA-N 2 0 379.465 -0.664 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C[NH3+])C1 ZINC000659671484 1073070777 /nfs/dbraw/zinc/07/07/77/1073070777.db2.gz ABNXWWQRJHZYFY-ZBFHGGJFSA-N 2 0 381.521 -0.369 20 0 GBADRP Cc1ccc([C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[NH+](C)C)cc1 ZINC000659672659 1073070302 /nfs/dbraw/zinc/07/03/02/1073070302.db2.gz XEGFWAGLDNZHQT-HNNXBMFYSA-N 2 0 386.456 -0.015 20 0 GBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[NH+](C)C)cc1 ZINC000659672660 1073070921 /nfs/dbraw/zinc/07/09/21/1073070921.db2.gz XEGFWAGLDNZHQT-OAHLLOKOSA-N 2 0 386.456 -0.015 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccs1 ZINC000659673502 1073070402 /nfs/dbraw/zinc/07/04/02/1073070402.db2.gz KHAWYDIHMQKWCE-LLVKDONJSA-N 2 0 378.458 -0.262 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccs1 ZINC000659673504 1073070363 /nfs/dbraw/zinc/07/03/63/1073070363.db2.gz KHAWYDIHMQKWCE-NSHDSACASA-N 2 0 378.458 -0.262 20 0 GBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659673715 1073071153 /nfs/dbraw/zinc/07/11/53/1073071153.db2.gz GNZSXOSFFGHJAY-HNNXBMFYSA-N 2 0 386.456 -0.454 20 0 GBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659673717 1073071722 /nfs/dbraw/zinc/07/17/22/1073071722.db2.gz GNZSXOSFFGHJAY-OAHLLOKOSA-N 2 0 386.456 -0.454 20 0 GBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659673720 1073071503 /nfs/dbraw/zinc/07/15/03/1073071503.db2.gz GODCXTJYOJPURN-UHFFFAOYSA-N 2 0 385.512 -0.130 20 0 GBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659673818 1073072301 /nfs/dbraw/zinc/07/23/01/1073072301.db2.gz HXVVAMZUXPPKOB-UHFFFAOYSA-N 2 0 385.512 -0.211 20 0 GBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000659674008 1073073090 /nfs/dbraw/zinc/07/30/90/1073073090.db2.gz KGQCUWKRAXVMPE-QZTJIDSGSA-N 2 0 391.491 -0.182 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659674204 1073072425 /nfs/dbraw/zinc/07/24/25/1073072425.db2.gz LGSVTPUQHOADJH-AWEZNQCLSA-N 2 0 384.440 -0.352 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659674209 1073073185 /nfs/dbraw/zinc/07/31/85/1073073185.db2.gz LGSVTPUQHOADJH-CQSZACIVSA-N 2 0 384.440 -0.352 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659675606 1073072201 /nfs/dbraw/zinc/07/22/01/1073072201.db2.gz WCWIQIKLOVNCKT-HNNXBMFYSA-N 2 0 386.456 -0.454 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659675609 1073072900 /nfs/dbraw/zinc/07/29/00/1073072900.db2.gz WCWIQIKLOVNCKT-OAHLLOKOSA-N 2 0 386.456 -0.454 20 0 GBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000659675862 1073072153 /nfs/dbraw/zinc/07/21/53/1073072153.db2.gz CGYAYTISSHLDFO-PBHICJAKSA-N 2 0 384.440 -0.181 20 0 GBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659675863 1073072086 /nfs/dbraw/zinc/07/20/86/1073072086.db2.gz CGYAYTISSHLDFO-RHSMWYFYSA-N 2 0 384.440 -0.181 20 0 GBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1c1ccccc1 ZINC000659675864 1073072625 /nfs/dbraw/zinc/07/26/25/1073072625.db2.gz CGYAYTISSHLDFO-WMLDXEAASA-N 2 0 384.440 -0.181 20 0 GBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000659675865 1073072122 /nfs/dbraw/zinc/07/21/22/1073072122.db2.gz CGYAYTISSHLDFO-YOEHRIQHSA-N 2 0 384.440 -0.181 20 0 GBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[C@H]1F ZINC000659675866 1073072375 /nfs/dbraw/zinc/07/23/75/1073072375.db2.gz CHCCNFVUKPCKJU-BRWVUGGUSA-N 2 0 378.448 -0.233 20 0 GBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[C@H]1F ZINC000659675867 1073072704 /nfs/dbraw/zinc/07/27/04/1073072704.db2.gz CHCCNFVUKPCKJU-GVDBMIGSSA-N 2 0 378.448 -0.233 20 0 GBADRP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000659677632 1073073671 /nfs/dbraw/zinc/07/36/71/1073073671.db2.gz GJSBDCDTHQGUPA-CYBMUJFWSA-N 2 0 386.456 -0.106 20 0 GBADRP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000659677635 1073073535 /nfs/dbraw/zinc/07/35/35/1073073535.db2.gz GJSBDCDTHQGUPA-ZDUSSCGKSA-N 2 0 386.456 -0.106 20 0 GBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659679667 1073071619 /nfs/dbraw/zinc/07/16/19/1073071619.db2.gz BOZRKVMIXDAQJC-KPZWWZAWSA-N 2 0 378.477 -0.116 20 0 GBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659679669 1073071539 /nfs/dbraw/zinc/07/15/39/1073071539.db2.gz BOZRKVMIXDAQJC-KZULUSFZSA-N 2 0 378.477 -0.116 20 0 GBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659679671 1073071819 /nfs/dbraw/zinc/07/18/19/1073071819.db2.gz BOZRKVMIXDAQJC-SGTLLEGYSA-N 2 0 378.477 -0.116 20 0 GBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)([NH+](C)C)C1 ZINC000659679673 1073071437 /nfs/dbraw/zinc/07/14/37/1073071437.db2.gz BOZRKVMIXDAQJC-XIKOKIGWSA-N 2 0 378.477 -0.116 20 0 GBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659680772 1073072939 /nfs/dbraw/zinc/07/29/39/1073072939.db2.gz KUDBJSKQFUILCL-FRRDWIJNSA-N 2 0 378.477 -0.260 20 0 GBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659680773 1073073264 /nfs/dbraw/zinc/07/32/64/1073073264.db2.gz KUDBJSKQFUILCL-JHJVBQTASA-N 2 0 378.477 -0.260 20 0 GBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659680774 1073072991 /nfs/dbraw/zinc/07/29/91/1073072991.db2.gz KUDBJSKQFUILCL-UPJWGTAASA-N 2 0 378.477 -0.260 20 0 GBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659680775 1073072477 /nfs/dbraw/zinc/07/24/77/1073072477.db2.gz KUDBJSKQFUILCL-XQQFMLRXSA-N 2 0 378.477 -0.260 20 0 GBADRP C[N@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000659681085 1073073034 /nfs/dbraw/zinc/07/30/34/1073073034.db2.gz CJIBIXKJRIOPBW-UHFFFAOYSA-N 2 0 386.456 -0.105 20 0 GBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659681145 1073072810 /nfs/dbraw/zinc/07/28/10/1073072810.db2.gz PNLGHXWGNBCWIC-GFCCVEGCSA-N 2 0 378.477 -0.116 20 0 GBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659681146 1073072326 /nfs/dbraw/zinc/07/23/26/1073072326.db2.gz PNLGHXWGNBCWIC-LBPRGKRZSA-N 2 0 378.477 -0.116 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000659683150 1073076180 /nfs/dbraw/zinc/07/61/80/1073076180.db2.gz OPYHBQFUHQXPAL-AWEZNQCLSA-N 2 0 389.500 -0.276 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000659683151 1073076547 /nfs/dbraw/zinc/07/65/47/1073076547.db2.gz OPYHBQFUHQXPAL-CQSZACIVSA-N 2 0 389.500 -0.276 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000659684131 1073074925 /nfs/dbraw/zinc/07/49/25/1073074925.db2.gz GSYXBRSPCKTBDN-SJORKVTESA-N 2 0 395.548 -0.515 20 0 GBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000659684364 1073073523 /nfs/dbraw/zinc/07/35/23/1073073523.db2.gz IEHMLMFWUPJDRY-MRXNPFEDSA-N 2 0 383.537 -0.611 20 0 GBADRP C[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCCC2)(N2CCOCC2)CC1 ZINC000659684965 1073074904 /nfs/dbraw/zinc/07/49/04/1073074904.db2.gz NGICUCMRDAWWKJ-UHFFFAOYSA-N 2 0 381.521 -0.713 20 0 GBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000659685232 1073074329 /nfs/dbraw/zinc/07/43/29/1073074329.db2.gz OWYMSXNNAPAXLA-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cn2)CC1 ZINC000659685637 1073074874 /nfs/dbraw/zinc/07/48/74/1073074874.db2.gz UPSFZGMNSBOCSE-HUUCEWRRSA-N 2 0 378.452 -0.653 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659687217 1073074509 /nfs/dbraw/zinc/07/45/09/1073074509.db2.gz HBZKGFWRQRSWQT-UHFFFAOYSA-N 2 0 393.532 -0.321 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659687494 1073074911 /nfs/dbraw/zinc/07/49/11/1073074911.db2.gz JRHVTYCVPFEKCO-HUUCEWRRSA-N 2 0 399.511 -0.373 20 0 GBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000659687519 1073074535 /nfs/dbraw/zinc/07/45/35/1073074535.db2.gz KUOWBJXCFDGWQC-UHFFFAOYSA-N 2 0 383.537 -0.075 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659687787 1073075152 /nfs/dbraw/zinc/07/51/52/1073075152.db2.gz MZZRPJHAAVEVDT-CYBMUJFWSA-N 2 0 378.477 -0.259 20 0 GBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659687788 1073075713 /nfs/dbraw/zinc/07/57/13/1073075713.db2.gz MZZRPJHAAVEVDT-ZDUSSCGKSA-N 2 0 378.477 -0.259 20 0 GBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659687841 1073075672 /nfs/dbraw/zinc/07/56/72/1073075672.db2.gz PFKUMFHVRWANLJ-UHFFFAOYSA-N 2 0 393.532 -0.403 20 0 GBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659688709 1073075472 /nfs/dbraw/zinc/07/54/72/1073075472.db2.gz HOPBBGRPQRDMAI-HUUCEWRRSA-N 2 0 378.452 -0.653 20 0 GBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000659688842 1073076821 /nfs/dbraw/zinc/07/68/21/1073076821.db2.gz MHRHRPJGIHEKOD-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)ccn2)CC1 ZINC000659689640 1073076698 /nfs/dbraw/zinc/07/66/98/1073076698.db2.gz GVQOOWOKUZFQAG-HUUCEWRRSA-N 2 0 378.452 -0.653 20 0 GBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000659690032 1073076381 /nfs/dbraw/zinc/07/63/81/1073076381.db2.gz MLTMONBKYITSOE-MRXNPFEDSA-N 2 0 376.505 -0.061 20 0 GBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000659691375 1073077745 /nfs/dbraw/zinc/07/77/45/1073077745.db2.gz OLBHNOQSGWULOH-UHFFFAOYSA-N 2 0 377.489 -0.210 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659691420 1073077380 /nfs/dbraw/zinc/07/73/80/1073077380.db2.gz PXUOTGSXODDZKD-HZPDHXFCSA-N 2 0 393.463 -0.508 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659691723 1073077133 /nfs/dbraw/zinc/07/71/33/1073077133.db2.gz ROJPCNSGOZZGTF-UHFFFAOYSA-N 2 0 387.484 -0.538 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659691988 1073077612 /nfs/dbraw/zinc/07/76/12/1073077612.db2.gz VHENTKAWOYJBAZ-UHFFFAOYSA-N 2 0 387.484 -0.456 20 0 GBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659692222 1073077062 /nfs/dbraw/zinc/07/70/62/1073077062.db2.gz WYWYRZXNHABDAG-UHFFFAOYSA-N 2 0 389.500 -0.018 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC4CC3(C[NH3+])C4)cn2)CC1 ZINC000659693789 1073077346 /nfs/dbraw/zinc/07/73/46/1073077346.db2.gz AQCZLJUWNHRWCH-UHFFFAOYSA-N 2 0 386.500 -0.211 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cn2)CC1 ZINC000659694467 1073077463 /nfs/dbraw/zinc/07/74/63/1073077463.db2.gz KVGZQRAGQSEWJK-UHFFFAOYSA-N 2 0 386.500 -0.292 20 0 GBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cn2)CC1 ZINC000659694754 1073077622 /nfs/dbraw/zinc/07/76/22/1073077622.db2.gz OGLYZVDNNATAHD-HZPDHXFCSA-N 2 0 392.479 -0.263 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCN2CCc3ccccc3C2)n1 ZINC000659695142 1073077698 /nfs/dbraw/zinc/07/76/98/1073077698.db2.gz SBTIKSFRXOJTBC-UHFFFAOYSA-N 2 0 384.440 -0.568 20 0 GBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000659696126 1073077981 /nfs/dbraw/zinc/07/79/81/1073077981.db2.gz LGPMLQPFLIZPFT-UHFFFAOYSA-N 3 0 386.500 -0.340 20 0 GBADRP C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)Cc2ccccc2C1 ZINC000659696314 1073078027 /nfs/dbraw/zinc/07/80/27/1073078027.db2.gz MHKQETMTINKOSN-UHFFFAOYSA-N 2 0 398.467 -0.528 20 0 GBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659696739 1073078496 /nfs/dbraw/zinc/07/84/96/1073078496.db2.gz POLKVQNNLUFSFE-IAGOWNOFSA-N 3 0 392.479 -0.392 20 0 GBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000659696785 1073078392 /nfs/dbraw/zinc/07/83/92/1073078392.db2.gz QHWGWYHFRCWGBZ-UHFFFAOYSA-N 3 0 376.505 -0.094 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000659696953 1073078210 /nfs/dbraw/zinc/07/82/10/1073078210.db2.gz DVJILOGCOHLFOM-AWEZNQCLSA-N 2 0 390.419 -0.185 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000659696954 1073078275 /nfs/dbraw/zinc/07/82/75/1073078275.db2.gz DVJILOGCOHLFOM-CQSZACIVSA-N 2 0 390.419 -0.185 20 0 GBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659697017 1073078054 /nfs/dbraw/zinc/07/80/54/1073078054.db2.gz FZCMXFBEQHFRBR-BETUJISGSA-N 2 0 378.477 -0.259 20 0 GBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659697018 1073078081 /nfs/dbraw/zinc/07/80/81/1073078081.db2.gz FZCMXFBEQHFRBR-CHWSQXEVSA-N 2 0 378.477 -0.259 20 0 GBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659697020 1073078572 /nfs/dbraw/zinc/07/85/72/1073078572.db2.gz FZCMXFBEQHFRBR-STQMWFEESA-N 2 0 378.477 -0.259 20 0 GBADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c2ccccc2)CC1 ZINC000659697411 1073078074 /nfs/dbraw/zinc/07/80/74/1073078074.db2.gz GIRUUXNEDXLIBP-JGCRXCKMSA-N 2 0 385.512 -0.041 20 0 GBADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c2ccccc2)CC1 ZINC000659697412 1073078041 /nfs/dbraw/zinc/07/80/41/1073078041.db2.gz GIRUUXNEDXLIBP-NCYVPVAZSA-N 2 0 385.512 -0.041 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659697532 1073078224 /nfs/dbraw/zinc/07/82/24/1073078224.db2.gz XNHXZCNSRCCQGZ-UHFFFAOYSA-N 3 0 386.500 -0.422 20 0 GBADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000659698502 1073076514 /nfs/dbraw/zinc/07/65/14/1073076514.db2.gz OUHNELUEUPLFTO-KURKYZTESA-N 2 0 391.491 -0.011 20 0 GBADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000659698503 1073076432 /nfs/dbraw/zinc/07/64/32/1073076432.db2.gz OUHNELUEUPLFTO-KZNAEPCWSA-N 2 0 391.491 -0.011 20 0 GBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659698703 1073079386 /nfs/dbraw/zinc/07/93/86/1073079386.db2.gz KGYPZWUKUIVMSW-CYBMUJFWSA-N 2 0 378.477 -0.115 20 0 GBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659698708 1073079102 /nfs/dbraw/zinc/07/91/02/1073079102.db2.gz KGYPZWUKUIVMSW-ZDUSSCGKSA-N 2 0 378.477 -0.115 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659699416 1073078872 /nfs/dbraw/zinc/07/88/72/1073078872.db2.gz PHBCXEHZDFGPKQ-HNNXBMFYSA-N 2 0 398.467 -0.105 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659699418 1073079031 /nfs/dbraw/zinc/07/90/31/1073079031.db2.gz PHBCXEHZDFGPKQ-OAHLLOKOSA-N 2 0 398.467 -0.105 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000659699578 1073078829 /nfs/dbraw/zinc/07/88/29/1073078829.db2.gz YEKXKOCPBNZTIH-UHFFFAOYSA-N 2 0 398.467 -0.178 20 0 GBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659699735 1073079080 /nfs/dbraw/zinc/07/90/80/1073079080.db2.gz VDFIFCQRIICSNC-UHFFFAOYSA-N 2 0 378.477 -0.115 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000659699887 1073079181 /nfs/dbraw/zinc/07/91/81/1073079181.db2.gz XGTTXYDYQURLKL-OWCLPIDISA-N 2 0 381.521 -0.369 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000659699908 1073078977 /nfs/dbraw/zinc/07/89/77/1073078977.db2.gz XGTTXYDYQURLKL-PMPSAXMXSA-N 2 0 381.521 -0.369 20 0 GBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700522 1073079058 /nfs/dbraw/zinc/07/90/58/1073079058.db2.gz MTEQABPRSVGUHM-BBRMVZONSA-N 2 0 398.467 -0.106 20 0 GBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700523 1073079126 /nfs/dbraw/zinc/07/91/26/1073079126.db2.gz MTEQABPRSVGUHM-CJNGLKHVSA-N 2 0 398.467 -0.106 20 0 GBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700524 1073078781 /nfs/dbraw/zinc/07/87/81/1073078781.db2.gz MTEQABPRSVGUHM-CZUORRHYSA-N 2 0 398.467 -0.106 20 0 GBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700525 1073079301 /nfs/dbraw/zinc/07/93/01/1073079301.db2.gz MTEQABPRSVGUHM-XJKSGUPXSA-N 2 0 398.467 -0.106 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659703508 1073079922 /nfs/dbraw/zinc/07/99/22/1073079922.db2.gz BQDSCWJLQSPJLA-HNNXBMFYSA-N 2 0 377.493 -0.781 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659703509 1073079885 /nfs/dbraw/zinc/07/98/85/1073079885.db2.gz BQDSCWJLQSPJLA-OAHLLOKOSA-N 2 0 377.493 -0.781 20 0 GBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000659703912 1073080026 /nfs/dbraw/zinc/08/00/26/1073080026.db2.gz HQCJUOYUTUKFGI-UHFFFAOYSA-N 2 0 391.520 -0.309 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659704858 1073078454 /nfs/dbraw/zinc/07/84/54/1073078454.db2.gz RYEAJKUDTFBADD-PBHICJAKSA-N 2 0 389.500 -0.276 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659704860 1073078090 /nfs/dbraw/zinc/07/80/90/1073078090.db2.gz RYEAJKUDTFBADD-RHSMWYFYSA-N 2 0 389.500 -0.276 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000659704862 1073078193 /nfs/dbraw/zinc/07/81/93/1073078193.db2.gz RYEAJKUDTFBADD-WMLDXEAASA-N 2 0 389.500 -0.276 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000659704864 1073078151 /nfs/dbraw/zinc/07/81/51/1073078151.db2.gz RYEAJKUDTFBADD-YOEHRIQHSA-N 2 0 389.500 -0.276 20 0 GBADRP C[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccc(F)cc1 ZINC000659708469 1073078466 /nfs/dbraw/zinc/07/84/66/1073078466.db2.gz RUGGFOACCRBOAE-UHFFFAOYSA-N 2 0 390.419 -0.356 20 0 GBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659711270 1073080817 /nfs/dbraw/zinc/08/08/17/1073080817.db2.gz WQYSWRUHDPUCKU-UHFFFAOYSA-N 2 0 388.516 -0.569 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659720901 1073081618 /nfs/dbraw/zinc/08/16/18/1073081618.db2.gz BHZGTJNVHCPKGM-IBGZPJMESA-N 2 0 385.512 -0.045 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659720902 1073081266 /nfs/dbraw/zinc/08/12/66/1073081266.db2.gz BHZGTJNVHCPKGM-LJQANCHMSA-N 2 0 385.512 -0.045 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722344 1073082716 /nfs/dbraw/zinc/08/27/16/1073082716.db2.gz DOLODFOPWDSYMG-CHWSQXEVSA-N 2 0 393.454 -0.072 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722346 1073082032 /nfs/dbraw/zinc/08/20/32/1073082032.db2.gz DOLODFOPWDSYMG-OLZOCXBDSA-N 2 0 393.454 -0.072 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722349 1073082211 /nfs/dbraw/zinc/08/22/11/1073082211.db2.gz DOLODFOPWDSYMG-QWHCGFSZSA-N 2 0 393.454 -0.072 20 0 GBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722351 1073082124 /nfs/dbraw/zinc/08/21/24/1073082124.db2.gz DOLODFOPWDSYMG-STQMWFEESA-N 2 0 393.454 -0.072 20 0 GBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659722678 1073082607 /nfs/dbraw/zinc/08/26/07/1073082607.db2.gz FXHUYWSMMKKRMM-GOSISDBHSA-N 2 0 389.500 -0.096 20 0 GBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659722679 1073082516 /nfs/dbraw/zinc/08/25/16/1073082516.db2.gz FXHUYWSMMKKRMM-SFHVURJKSA-N 2 0 389.500 -0.096 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723301 1073081995 /nfs/dbraw/zinc/08/19/95/1073081995.db2.gz IVEKUFWORRRDAF-CHWSQXEVSA-N 2 0 379.427 -0.461 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723303 1073082407 /nfs/dbraw/zinc/08/24/07/1073082407.db2.gz IVEKUFWORRRDAF-OLZOCXBDSA-N 2 0 379.427 -0.461 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723307 1073082816 /nfs/dbraw/zinc/08/28/16/1073082816.db2.gz IVEKUFWORRRDAF-QWHCGFSZSA-N 2 0 379.427 -0.461 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659723310 1073082778 /nfs/dbraw/zinc/08/27/78/1073082778.db2.gz IVEKUFWORRRDAF-STQMWFEESA-N 2 0 379.427 -0.461 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659725881 1073083983 /nfs/dbraw/zinc/08/39/83/1073083983.db2.gz AHNWLTOKVSEVQM-MSOLQXFVSA-N 2 0 389.500 -0.977 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659725882 1073084352 /nfs/dbraw/zinc/08/43/52/1073084352.db2.gz AHNWLTOKVSEVQM-QZTJIDSGSA-N 2 0 389.500 -0.977 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659725883 1073084522 /nfs/dbraw/zinc/08/45/22/1073084522.db2.gz AHNWLTOKVSEVQM-ROUUACIJSA-N 2 0 389.500 -0.977 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659725884 1073084623 /nfs/dbraw/zinc/08/46/23/1073084623.db2.gz AHNWLTOKVSEVQM-ZWKOTPCHSA-N 2 0 389.500 -0.977 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCO1 ZINC000659727394 1073084465 /nfs/dbraw/zinc/08/44/65/1073084465.db2.gz FFFYWUOKVZXKBZ-GOSISDBHSA-N 2 0 389.500 -0.014 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCO1 ZINC000659727395 1073084128 /nfs/dbraw/zinc/08/41/28/1073084128.db2.gz FFFYWUOKVZXKBZ-SFHVURJKSA-N 2 0 389.500 -0.014 20 0 GBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000659728075 1073085578 /nfs/dbraw/zinc/08/55/78/1073085578.db2.gz IDTRJPNEJWASQA-CRAIPNDOSA-N 2 0 389.500 -0.016 20 0 GBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000659728078 1073085256 /nfs/dbraw/zinc/08/52/56/1073085256.db2.gz IDTRJPNEJWASQA-MAUKXSAKSA-N 2 0 389.500 -0.016 20 0 GBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000659728080 1073085537 /nfs/dbraw/zinc/08/55/37/1073085537.db2.gz IDTRJPNEJWASQA-QAPCUYQASA-N 2 0 389.500 -0.016 20 0 GBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000659728083 1073085728 /nfs/dbraw/zinc/08/57/28/1073085728.db2.gz IDTRJPNEJWASQA-YJBOKZPZSA-N 2 0 389.500 -0.016 20 0 GBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659728960 1073086213 /nfs/dbraw/zinc/08/62/13/1073086213.db2.gz PNRSJRXESLEZHI-KRWDZBQOSA-N 2 0 375.473 -0.486 20 0 GBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659728961 1073086436 /nfs/dbraw/zinc/08/64/36/1073086436.db2.gz PNRSJRXESLEZHI-QGZVFWFLSA-N 2 0 375.473 -0.486 20 0 GBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000659729036 1073086265 /nfs/dbraw/zinc/08/62/65/1073086265.db2.gz LPCFEIOWCLPSRE-KRWDZBQOSA-N 2 0 375.473 -0.404 20 0 GBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000659729037 1073086537 /nfs/dbraw/zinc/08/65/37/1073086537.db2.gz LPCFEIOWCLPSRE-QGZVFWFLSA-N 2 0 375.473 -0.404 20 0 GBADRP CN1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659730943 1073092232 /nfs/dbraw/zinc/09/22/32/1073092232.db2.gz VVAIKEBTSVCBJG-GOSISDBHSA-N 2 0 388.516 -0.489 20 0 GBADRP CN1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000659730944 1073091832 /nfs/dbraw/zinc/09/18/32/1073091832.db2.gz VVAIKEBTSVCBJG-SFHVURJKSA-N 2 0 388.516 -0.489 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659735513 1073092959 /nfs/dbraw/zinc/09/29/59/1073092959.db2.gz HPSNQGXDDKGFQA-CVEARBPZSA-N 2 0 393.532 -0.177 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659735514 1073093058 /nfs/dbraw/zinc/09/30/58/1073093058.db2.gz HPSNQGXDDKGFQA-HOTGVXAUSA-N 2 0 393.532 -0.177 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659735515 1073093397 /nfs/dbraw/zinc/09/33/97/1073093397.db2.gz HPSNQGXDDKGFQA-HZPDHXFCSA-N 2 0 393.532 -0.177 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000659735516 1073092896 /nfs/dbraw/zinc/09/28/96/1073092896.db2.gz HPSNQGXDDKGFQA-JKSUJKDBSA-N 2 0 393.532 -0.177 20 0 GBADRP CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659735984 1073089989 /nfs/dbraw/zinc/08/99/89/1073089989.db2.gz XMCXCZFXGLLWSN-UHFFFAOYSA-N 2 0 381.521 -0.223 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659738685 1073091747 /nfs/dbraw/zinc/09/17/47/1073091747.db2.gz IKXHVXRUNAIVOY-INIZCTEOSA-N 2 0 381.521 -0.306 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(C(=O)CCC[NH2+]C)CC2)C1 ZINC000659738686 1073092006 /nfs/dbraw/zinc/09/20/06/1073092006.db2.gz IKXHVXRUNAIVOY-MRXNPFEDSA-N 2 0 381.521 -0.306 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739060 1073091509 /nfs/dbraw/zinc/09/15/09/1073091509.db2.gz MFXRMJMKQSVBCG-CVEARBPZSA-N 2 0 379.505 -0.743 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739061 1073090990 /nfs/dbraw/zinc/09/09/90/1073090990.db2.gz MFXRMJMKQSVBCG-HOTGVXAUSA-N 2 0 379.505 -0.743 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739062 1073091561 /nfs/dbraw/zinc/09/15/61/1073091561.db2.gz MFXRMJMKQSVBCG-HZPDHXFCSA-N 2 0 379.505 -0.743 20 0 GBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659739063 1073091251 /nfs/dbraw/zinc/09/12/51/1073091251.db2.gz MFXRMJMKQSVBCG-JKSUJKDBSA-N 2 0 379.505 -0.743 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659739289 1073091194 /nfs/dbraw/zinc/09/11/94/1073091194.db2.gz QHPQXQCFJHFBTQ-IKGGRYGDSA-N 2 0 393.532 -0.306 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659739290 1073090462 /nfs/dbraw/zinc/09/04/62/1073090462.db2.gz QHPQXQCFJHFBTQ-IXDOHACOSA-N 2 0 393.532 -0.306 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659739291 1073091471 /nfs/dbraw/zinc/09/14/71/1073091471.db2.gz QHPQXQCFJHFBTQ-ULQDDVLXSA-N 2 0 393.532 -0.306 20 0 GBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659739292 1073090623 /nfs/dbraw/zinc/09/06/23/1073090623.db2.gz QHPQXQCFJHFBTQ-YESZJQIVSA-N 2 0 393.532 -0.306 20 0 GBADRP CN1CCC(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)([NH+]2CCCCC2)CC1 ZINC000659740513 1073091782 /nfs/dbraw/zinc/09/17/82/1073091782.db2.gz CAIBZVVZGITZFG-UHFFFAOYSA-N 2 0 377.533 -0.079 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741901 1073093185 /nfs/dbraw/zinc/09/31/85/1073093185.db2.gz XDGQQPWFRZQLML-IDYZSHNDSA-N 2 0 385.512 -0.213 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659741903 1073093352 /nfs/dbraw/zinc/09/33/52/1073093352.db2.gz XDGQQPWFRZQLML-WBTXTPOCSA-N 2 0 385.512 -0.213 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742169 1073092850 /nfs/dbraw/zinc/09/28/50/1073092850.db2.gz RHMBFPAGNZNQFQ-HLVUACMISA-N 2 0 377.533 -0.128 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742171 1073092927 /nfs/dbraw/zinc/09/29/27/1073092927.db2.gz RHMBFPAGNZNQFQ-VPRUJKLYSA-N 2 0 377.533 -0.128 20 0 GBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742173 1073093167 /nfs/dbraw/zinc/09/31/67/1073093167.db2.gz RHMBFPAGNZNQFQ-ZRDSACAASA-N 2 0 377.533 -0.128 20 0 GBADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659742587 1073099493 /nfs/dbraw/zinc/09/94/93/1073099493.db2.gz ANTIMNSBCPXOCE-UHFFFAOYSA-N 2 0 377.533 -0.269 20 0 GBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659742842 1073094750 /nfs/dbraw/zinc/09/47/50/1073094750.db2.gz KCDDBQHEUFNFKP-UHFFFAOYSA-N 2 0 377.533 -0.128 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659744051 1073094581 /nfs/dbraw/zinc/09/45/81/1073094581.db2.gz PZVQHPILFBJMGO-UHFFFAOYSA-N 2 0 377.533 -0.128 20 0 GBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659745805 1073093961 /nfs/dbraw/zinc/09/39/61/1073093961.db2.gz FUALIYAJQMKUCO-GOSISDBHSA-N 2 0 375.517 -0.013 20 0 GBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659745806 1073094711 /nfs/dbraw/zinc/09/47/11/1073094711.db2.gz FUALIYAJQMKUCO-SFHVURJKSA-N 2 0 375.517 -0.013 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659746204 1073093800 /nfs/dbraw/zinc/09/38/00/1073093800.db2.gz JLSKWVLBFSDUSS-KZNAEPCWSA-N 2 0 391.491 -0.184 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659746205 1073094001 /nfs/dbraw/zinc/09/40/01/1073094001.db2.gz JLSKWVLBFSDUSS-RCCFBDPRSA-N 2 0 391.491 -0.184 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659746581 1073094516 /nfs/dbraw/zinc/09/45/16/1073094516.db2.gz OQGXLYQABIMAMN-IDYZSHNDSA-N 2 0 385.512 -0.132 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659746582 1073094213 /nfs/dbraw/zinc/09/42/13/1073094213.db2.gz OQGXLYQABIMAMN-WBTXTPOCSA-N 2 0 385.512 -0.132 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659746587 1073094055 /nfs/dbraw/zinc/09/40/55/1073094055.db2.gz OTGVTBAQVBDTSF-MSOLQXFVSA-N 2 0 389.500 -0.895 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659746588 1073094603 /nfs/dbraw/zinc/09/46/03/1073094603.db2.gz OTGVTBAQVBDTSF-QZTJIDSGSA-N 2 0 389.500 -0.895 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659746589 1073094277 /nfs/dbraw/zinc/09/42/77/1073094277.db2.gz OTGVTBAQVBDTSF-ROUUACIJSA-N 2 0 389.500 -0.895 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659746590 1073094126 /nfs/dbraw/zinc/09/41/26/1073094126.db2.gz OTGVTBAQVBDTSF-ZWKOTPCHSA-N 2 0 389.500 -0.895 20 0 GBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746905 1073095951 /nfs/dbraw/zinc/09/59/51/1073095951.db2.gz SPDJVPSABNZJDY-MOPGFXCFSA-N 2 0 387.528 -0.013 20 0 GBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746907 1073095400 /nfs/dbraw/zinc/09/54/00/1073095400.db2.gz SPDJVPSABNZJDY-OALUTQOASA-N 2 0 387.528 -0.013 20 0 GBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746909 1073095643 /nfs/dbraw/zinc/09/56/43/1073095643.db2.gz SPDJVPSABNZJDY-RBUKOAKNSA-N 2 0 387.528 -0.013 20 0 GBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659746911 1073095888 /nfs/dbraw/zinc/09/58/88/1073095888.db2.gz SPDJVPSABNZJDY-RTBURBONSA-N 2 0 387.528 -0.013 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659747085 1073095545 /nfs/dbraw/zinc/09/55/45/1073095545.db2.gz VEUIGULNWPPXBA-CEXWTWQISA-N 2 0 385.512 -0.403 20 0 GBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659747086 1073096010 /nfs/dbraw/zinc/09/60/10/1073096010.db2.gz VEUIGULNWPPXBA-OTWHNJEPSA-N 2 0 385.512 -0.403 20 0 GBADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747309 1073095322 /nfs/dbraw/zinc/09/53/22/1073095322.db2.gz ASKFAXYEFZIXSI-INIZCTEOSA-N 2 0 398.467 -0.010 20 0 GBADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747310 1073095172 /nfs/dbraw/zinc/09/51/72/1073095172.db2.gz ASKFAXYEFZIXSI-MRXNPFEDSA-N 2 0 398.467 -0.010 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747391 1073095438 /nfs/dbraw/zinc/09/54/38/1073095438.db2.gz DHVPLBPEKONBMF-AWEZNQCLSA-N 2 0 394.476 -0.784 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659747393 1073096114 /nfs/dbraw/zinc/09/61/14/1073096114.db2.gz DHVPLBPEKONBMF-CQSZACIVSA-N 2 0 394.476 -0.784 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000659747594 1073094332 /nfs/dbraw/zinc/09/43/32/1073094332.db2.gz FTVYNVLFELVZMF-UHFFFAOYSA-N 2 0 376.461 -0.266 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747838 1073096445 /nfs/dbraw/zinc/09/64/45/1073096445.db2.gz KQCPOPVBKSRAQA-DOMZBBRYSA-N 2 0 388.472 -0.268 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747839 1073097441 /nfs/dbraw/zinc/09/74/41/1073097441.db2.gz KQCPOPVBKSRAQA-IUODEOHRSA-N 2 0 388.472 -0.268 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747840 1073097149 /nfs/dbraw/zinc/09/71/49/1073097149.db2.gz KQCPOPVBKSRAQA-SWLSCSKDSA-N 2 0 388.472 -0.268 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659747841 1073096499 /nfs/dbraw/zinc/09/64/99/1073096499.db2.gz KQCPOPVBKSRAQA-WFASDCNBSA-N 2 0 388.472 -0.268 20 0 GBADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)CC1 ZINC000659747898 1073096756 /nfs/dbraw/zinc/09/67/56/1073096756.db2.gz AEZZEZZSZXFEDE-UHFFFAOYSA-N 2 0 390.488 -0.020 20 0 GBADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747899 1073097005 /nfs/dbraw/zinc/09/70/05/1073097005.db2.gz AHVDEIQKKKLYRA-UHFFFAOYSA-N 2 0 392.485 -0.091 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000659747927 1073096866 /nfs/dbraw/zinc/09/68/66/1073096866.db2.gz BAKHULPRBVIKDQ-UHFFFAOYSA-N 2 0 390.488 -0.018 20 0 GBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(F)c1 ZINC000659748059 1073097094 /nfs/dbraw/zinc/09/70/94/1073097094.db2.gz NMQJOIIVHQAMIN-AWEZNQCLSA-N 2 0 390.419 -0.185 20 0 GBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(F)c1 ZINC000659748060 1073096678 /nfs/dbraw/zinc/09/66/78/1073096678.db2.gz NMQJOIIVHQAMIN-CQSZACIVSA-N 2 0 390.419 -0.185 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000659748108 1073096602 /nfs/dbraw/zinc/09/66/02/1073096602.db2.gz CUVGUUTXKLBECA-UHFFFAOYSA-N 2 0 376.461 -0.409 20 0 GBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748191 1073095772 /nfs/dbraw/zinc/09/57/72/1073095772.db2.gz GEJJXWVLMIOVAH-UHFFFAOYSA-N 2 0 378.477 -0.163 20 0 GBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748275 1073095582 /nfs/dbraw/zinc/09/55/82/1073095582.db2.gz RVQQIKCRTIRTGI-UHFFFAOYSA-N 2 0 378.477 -0.163 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000659748301 1073095204 /nfs/dbraw/zinc/09/52/04/1073095204.db2.gz HGOHJFIDGPYCOU-UHFFFAOYSA-N 2 0 398.467 -0.008 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000659748320 1073095795 /nfs/dbraw/zinc/09/57/95/1073095795.db2.gz SWINFRUVRLXHKC-AWEZNQCLSA-N 2 0 376.461 -0.266 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000659748322 1073096167 /nfs/dbraw/zinc/09/61/67/1073096167.db2.gz SWINFRUVRLXHKC-CQSZACIVSA-N 2 0 376.461 -0.266 20 0 GBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748448 1073095759 /nfs/dbraw/zinc/09/57/59/1073095759.db2.gz JHMMTWOBJDEONV-UHFFFAOYSA-N 2 0 376.417 -0.560 20 0 GBADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748587 1073095125 /nfs/dbraw/zinc/09/51/25/1073095125.db2.gz YANSBRVDXNZASH-UHFFFAOYSA-N 2 0 392.485 -0.091 20 0 GBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748602 1073095860 /nfs/dbraw/zinc/09/58/60/1073095860.db2.gz YLOSRJBOKYHEHN-UHFFFAOYSA-N 2 0 378.477 -0.163 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000659748623 1073096098 /nfs/dbraw/zinc/09/60/98/1073096098.db2.gz KDYBRLJMZVGSQA-AWEZNQCLSA-N 2 0 376.461 -0.266 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000659748625 1073095267 /nfs/dbraw/zinc/09/52/67/1073095267.db2.gz KDYBRLJMZVGSQA-CQSZACIVSA-N 2 0 376.461 -0.266 20 0 GBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748842 1073098371 /nfs/dbraw/zinc/09/83/71/1073098371.db2.gz MXDXTFMJKRUACC-UHFFFAOYSA-N 2 0 378.477 -0.164 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000659749074 1073098410 /nfs/dbraw/zinc/09/84/10/1073098410.db2.gz RHMKCLVGBAPFEA-UHFFFAOYSA-N 2 0 376.461 -0.266 20 0 GBADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)o1 ZINC000659749130 1073098314 /nfs/dbraw/zinc/09/83/14/1073098314.db2.gz SIGFYDZUVBGZML-UHFFFAOYSA-N 2 0 390.444 -0.251 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000659749553 1073098691 /nfs/dbraw/zinc/09/86/91/1073098691.db2.gz YVJYRWUENSSWMG-UHFFFAOYSA-N 2 0 376.461 -0.266 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000659749593 1073097838 /nfs/dbraw/zinc/09/78/38/1073097838.db2.gz ZFVMBOCQWGRKEC-AWEZNQCLSA-N 2 0 376.461 -0.266 20 0 GBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000659749594 1073098581 /nfs/dbraw/zinc/09/85/81/1073098581.db2.gz ZFVMBOCQWGRKEC-CQSZACIVSA-N 2 0 376.461 -0.266 20 0 GBADRP CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659749623 1073098326 /nfs/dbraw/zinc/09/83/26/1073098326.db2.gz ZODRLBCDVSQTBR-INIZCTEOSA-N 2 0 398.467 -0.010 20 0 GBADRP CN(C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659749624 1073098727 /nfs/dbraw/zinc/09/87/27/1073098727.db2.gz ZODRLBCDVSQTBR-MRXNPFEDSA-N 2 0 398.467 -0.010 20 0 GBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)C2)CC1 ZINC000659749636 1073097516 /nfs/dbraw/zinc/09/75/16/1073097516.db2.gz ZZFUEOGYARJSMZ-CYBMUJFWSA-N 2 0 376.461 -0.553 20 0 GBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)C2)CC1 ZINC000659749637 1073096823 /nfs/dbraw/zinc/09/68/23/1073096823.db2.gz ZZFUEOGYARJSMZ-ZDUSSCGKSA-N 2 0 376.461 -0.553 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659749849 1073099433 /nfs/dbraw/zinc/09/94/33/1073099433.db2.gz BXQHOLPLRPMSHY-KRWDZBQOSA-N 2 0 375.517 -0.013 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659749850 1073099233 /nfs/dbraw/zinc/09/92/33/1073099233.db2.gz BXQHOLPLRPMSHY-QGZVFWFLSA-N 2 0 375.517 -0.013 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659752432 1073100097 /nfs/dbraw/zinc/10/00/97/1073100097.db2.gz ZGEPDWHPRAJRTK-AWEZNQCLSA-N 2 0 383.537 -0.347 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000659752434 1073100166 /nfs/dbraw/zinc/10/01/66/1073100166.db2.gz ZGEPDWHPRAJRTK-CQSZACIVSA-N 2 0 383.537 -0.347 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000659753244 1073099355 /nfs/dbraw/zinc/09/93/55/1073099355.db2.gz PAUICJVLIAECQM-INIZCTEOSA-N 2 0 391.516 0.000 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000659753246 1073099507 /nfs/dbraw/zinc/09/95/07/1073099507.db2.gz PAUICJVLIAECQM-MRXNPFEDSA-N 2 0 391.516 0.000 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]2[NH3+])cn1 ZINC000659754711 1073099172 /nfs/dbraw/zinc/09/91/72/1073099172.db2.gz GWAYGMSTBVNPCQ-ZWKOTPCHSA-N 2 0 388.516 -0.089 20 0 GBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659755187 1073099005 /nfs/dbraw/zinc/09/90/05/1073099005.db2.gz ISCZAIXAFYRCBP-KRWDZBQOSA-N 2 0 393.532 -0.462 20 0 GBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000659755188 1073099312 /nfs/dbraw/zinc/09/93/12/1073099312.db2.gz ISCZAIXAFYRCBP-QGZVFWFLSA-N 2 0 393.532 -0.462 20 0 GBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000659756043 1073100064 /nfs/dbraw/zinc/10/00/64/1073100064.db2.gz PHXLBJSTNSDPOK-HNNXBMFYSA-N 2 0 381.521 -0.449 20 0 GBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000659756046 1073099837 /nfs/dbraw/zinc/09/98/37/1073099837.db2.gz PHXLBJSTNSDPOK-OAHLLOKOSA-N 2 0 381.521 -0.449 20 0 GBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787184 1073111174 /nfs/dbraw/zinc/11/11/74/1073111174.db2.gz YUPJFNSPBJNFFL-DLBZAZTESA-N 2 0 391.516 -0.552 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787185 1073111211 /nfs/dbraw/zinc/11/12/11/1073111211.db2.gz YUPJFNSPBJNFFL-IAGOWNOFSA-N 2 0 391.516 -0.552 20 0 GBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787186 1073110720 /nfs/dbraw/zinc/11/07/20/1073110720.db2.gz YUPJFNSPBJNFFL-IRXDYDNUSA-N 2 0 391.516 -0.552 20 0 GBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000659787187 1073110989 /nfs/dbraw/zinc/11/09/89/1073110989.db2.gz YUPJFNSPBJNFFL-SJORKVTESA-N 2 0 391.516 -0.552 20 0 GBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270621 1073315752 /nfs/dbraw/zinc/31/57/52/1073315752.db2.gz KOSFYDLVLRRVJQ-DLBZAZTESA-N 2 0 393.532 -0.448 20 0 GBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270624 1073315547 /nfs/dbraw/zinc/31/55/47/1073315547.db2.gz KOSFYDLVLRRVJQ-IAGOWNOFSA-N 2 0 393.532 -0.448 20 0 GBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270625 1073315875 /nfs/dbraw/zinc/31/58/75/1073315875.db2.gz KOSFYDLVLRRVJQ-IRXDYDNUSA-N 2 0 393.532 -0.448 20 0 GBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000660270627 1073315790 /nfs/dbraw/zinc/31/57/90/1073315790.db2.gz KOSFYDLVLRRVJQ-SJORKVTESA-N 2 0 393.532 -0.448 20 0 GBADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@@H]3CCC[NH+](C)C3)CC1)CC2 ZINC000660279132 1073316703 /nfs/dbraw/zinc/31/67/03/1073316703.db2.gz YOUPDCDHRKCSST-FGTMMUONSA-N 2 0 377.533 -0.080 20 0 GBADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCN([C@H]3CCC[NH+](C)C3)CC1)CC2 ZINC000660279133 1073316254 /nfs/dbraw/zinc/31/62/54/1073316254.db2.gz YOUPDCDHRKCSST-SQNIBIBYSA-N 2 0 377.533 -0.080 20 0 GBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000660348845 1073324239 /nfs/dbraw/zinc/32/42/39/1073324239.db2.gz GOXHEBNXUCMSBS-DLBZAZTESA-N 2 0 393.532 -0.306 20 0 GBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000660348850 1073323684 /nfs/dbraw/zinc/32/36/84/1073323684.db2.gz GOXHEBNXUCMSBS-IAGOWNOFSA-N 2 0 393.532 -0.306 20 0 GBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000660348854 1073324124 /nfs/dbraw/zinc/32/41/24/1073324124.db2.gz GOXHEBNXUCMSBS-IRXDYDNUSA-N 2 0 393.532 -0.306 20 0 GBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000660348859 1073323881 /nfs/dbraw/zinc/32/38/81/1073323881.db2.gz GOXHEBNXUCMSBS-SJORKVTESA-N 2 0 393.532 -0.306 20 0 GBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660755963 1073387101 /nfs/dbraw/zinc/38/71/01/1073387101.db2.gz HHQXEHAVPGDBKH-KRWDZBQOSA-N 2 0 398.548 -0.139 20 0 GBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660755964 1073386942 /nfs/dbraw/zinc/38/69/42/1073386942.db2.gz HHQXEHAVPGDBKH-QGZVFWFLSA-N 2 0 398.548 -0.139 20 0 GBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000660993222 1073400778 /nfs/dbraw/zinc/40/07/78/1073400778.db2.gz BIXVGZVVBQNPLF-DLBZAZTESA-N 2 0 393.532 -0.260 20 0 GBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000660993223 1073400886 /nfs/dbraw/zinc/40/08/86/1073400886.db2.gz BIXVGZVVBQNPLF-IAGOWNOFSA-N 2 0 393.532 -0.260 20 0 GBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000660993224 1073401183 /nfs/dbraw/zinc/40/11/83/1073401183.db2.gz BIXVGZVVBQNPLF-IRXDYDNUSA-N 2 0 393.532 -0.260 20 0 GBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000660993225 1073400942 /nfs/dbraw/zinc/40/09/42/1073400942.db2.gz BIXVGZVVBQNPLF-SJORKVTESA-N 2 0 393.532 -0.260 20 0 GBADRP O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661156470 1073412591 /nfs/dbraw/zinc/41/25/91/1073412591.db2.gz JJFGHFJYJWBGSN-HDICACEKSA-N 2 0 396.532 -0.842 20 0 GBADRP O=C(C[NH2+][C@H](CO)C1CCC1)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661156471 1073412568 /nfs/dbraw/zinc/41/25/68/1073412568.db2.gz JJFGHFJYJWBGSN-QZTJIDSGSA-N 2 0 396.532 -0.842 20 0 GBADRP O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000661156472 1073412429 /nfs/dbraw/zinc/41/24/29/1073412429.db2.gz JJFGHFJYJWBGSN-ROUUACIJSA-N 2 0 396.532 -0.842 20 0 GBADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)CC2)C1 ZINC000661403553 1073432723 /nfs/dbraw/zinc/43/27/23/1073432723.db2.gz WUPYGCLHJPBESZ-BZSNNMDCSA-N 2 0 377.533 -0.223 20 0 GBADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)CC2)C1 ZINC000661403554 1073433071 /nfs/dbraw/zinc/43/30/71/1073433071.db2.gz WUPYGCLHJPBESZ-FGTMMUONSA-N 2 0 377.533 -0.223 20 0 GBADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)CC2)C1 ZINC000661403555 1073432925 /nfs/dbraw/zinc/43/29/25/1073432925.db2.gz WUPYGCLHJPBESZ-OKZBNKHCSA-N 2 0 377.533 -0.223 20 0 GBADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)CC2)C1 ZINC000661403557 1073432906 /nfs/dbraw/zinc/43/29/06/1073432906.db2.gz WUPYGCLHJPBESZ-SQNIBIBYSA-N 2 0 377.533 -0.223 20 0 GBADRP C[C@@H](O)[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000661774330 1073492357 /nfs/dbraw/zinc/49/23/57/1073492357.db2.gz XLKHBSNGNWYNGE-BRSBDYLESA-N 2 0 396.532 -0.652 20 0 GBADRP C[C@H](O)[C@H]1CCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774331 1073492287 /nfs/dbraw/zinc/49/22/87/1073492287.db2.gz XLKHBSNGNWYNGE-WNRNVDISSA-N 2 0 396.532 -0.652 20 0 GBADRP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000661774332 1073492406 /nfs/dbraw/zinc/49/24/06/1073492406.db2.gz XLKHBSNGNWYNGE-XMTFNYHQSA-N 2 0 396.532 -0.652 20 0 GBADRP O=C(C[NH+]1CCC2(COC2)C1)N1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662076813 1073525571 /nfs/dbraw/zinc/52/55/71/1073525571.db2.gz VHVBFEHUSOREHX-UHFFFAOYSA-N 2 0 392.500 -0.898 20 0 GBADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@]1(C)CO ZINC000662146809 1073539071 /nfs/dbraw/zinc/53/90/71/1073539071.db2.gz SWKBMDIDMMGKDG-AUUYWEPGSA-N 2 0 387.488 -0.038 20 0 GBADRP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@]1(C)CO ZINC000662146810 1073538984 /nfs/dbraw/zinc/53/89/84/1073538984.db2.gz SWKBMDIDMMGKDG-IFXJQAMLSA-N 2 0 387.488 -0.038 20 0 GBADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@]1(C)CO ZINC000662146817 1073538050 /nfs/dbraw/zinc/53/80/50/1073538050.db2.gz SWKBMDIDMMGKDG-KUHUBIRLSA-N 2 0 387.488 -0.038 20 0 GBADRP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@@]1(C)CO ZINC000662146819 1073538595 /nfs/dbraw/zinc/53/85/95/1073538595.db2.gz SWKBMDIDMMGKDG-LIRRHRJNSA-N 2 0 387.488 -0.038 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159099 1073539810 /nfs/dbraw/zinc/53/98/10/1073539810.db2.gz ZVBWKULHJWEYKD-MOPGFXCFSA-N 2 0 382.549 -0.010 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000662159101 1073540181 /nfs/dbraw/zinc/54/01/81/1073540181.db2.gz ZVBWKULHJWEYKD-OALUTQOASA-N 2 0 382.549 -0.010 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000662159104 1073540405 /nfs/dbraw/zinc/54/04/05/1073540405.db2.gz ZVBWKULHJWEYKD-RBUKOAKNSA-N 2 0 382.549 -0.010 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000662159106 1073541381 /nfs/dbraw/zinc/54/13/81/1073541381.db2.gz ZVBWKULHJWEYKD-RTBURBONSA-N 2 0 382.549 -0.010 20 0 GBADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662287625 1073557608 /nfs/dbraw/zinc/55/76/08/1073557608.db2.gz FNLBKOBQURFLPE-IBGZPJMESA-N 2 0 378.517 -0.357 20 0 GBADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662287626 1073557433 /nfs/dbraw/zinc/55/74/33/1073557433.db2.gz FNLBKOBQURFLPE-LJQANCHMSA-N 2 0 378.517 -0.357 20 0 GBADRP [NH3+]CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@H](O)CO ZINC000662287671 1073557157 /nfs/dbraw/zinc/55/71/57/1073557157.db2.gz GOEOEWPQLQRTQY-KRWDZBQOSA-N 2 0 382.530 -0.212 20 0 GBADRP [NH3+]CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@@H](O)CO ZINC000662287672 1073557583 /nfs/dbraw/zinc/55/75/83/1073557583.db2.gz GOEOEWPQLQRTQY-QGZVFWFLSA-N 2 0 382.530 -0.212 20 0 GBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662289206 1073556649 /nfs/dbraw/zinc/55/66/49/1073556649.db2.gz XZQHRKMSXDBPFB-GOSISDBHSA-N 2 0 394.516 -0.657 20 0 GBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662289207 1073556729 /nfs/dbraw/zinc/55/67/29/1073556729.db2.gz XZQHRKMSXDBPFB-SFHVURJKSA-N 2 0 394.516 -0.657 20 0 GBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662289214 1073556255 /nfs/dbraw/zinc/55/62/55/1073556255.db2.gz YCLDAVHLYGSCNH-IBGZPJMESA-N 2 0 378.517 -0.357 20 0 GBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662289215 1073556448 /nfs/dbraw/zinc/55/64/48/1073556448.db2.gz YCLDAVHLYGSCNH-LJQANCHMSA-N 2 0 378.517 -0.357 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662292122 1073558914 /nfs/dbraw/zinc/55/89/14/1073558914.db2.gz MWDMDHUPCWMACL-GOSISDBHSA-N 2 0 379.549 -0.070 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662292123 1073558358 /nfs/dbraw/zinc/55/83/58/1073558358.db2.gz MWDMDHUPCWMACL-SFHVURJKSA-N 2 0 379.549 -0.070 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293709 1073558656 /nfs/dbraw/zinc/55/86/56/1073558656.db2.gz MKPVTYQCFBAYQF-GOSISDBHSA-N 2 0 379.549 -0.070 20 0 GBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662293710 1073558992 /nfs/dbraw/zinc/55/89/92/1073558992.db2.gz MKPVTYQCFBAYQF-SFHVURJKSA-N 2 0 379.549 -0.070 20 0 GBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296043 1073557996 /nfs/dbraw/zinc/55/79/96/1073557996.db2.gz XMGQHKLDERUVFU-GXTWGEPZSA-N 2 0 377.489 -0.051 20 0 GBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296044 1073558392 /nfs/dbraw/zinc/55/83/92/1073558392.db2.gz XMGQHKLDERUVFU-JSGCOSHPSA-N 2 0 377.489 -0.051 20 0 GBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296045 1073558463 /nfs/dbraw/zinc/55/84/63/1073558463.db2.gz XMGQHKLDERUVFU-OCCSQVGLSA-N 2 0 377.489 -0.051 20 0 GBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296046 1073558786 /nfs/dbraw/zinc/55/87/86/1073558786.db2.gz XMGQHKLDERUVFU-TZMCWYRMSA-N 2 0 377.489 -0.051 20 0 GBADRP C[C@@H](NC(=O)CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335837 1073560903 /nfs/dbraw/zinc/56/09/03/1073560903.db2.gz AJJCZBCINFLTLL-CABCVRRESA-N 2 0 391.520 -0.408 20 0 GBADRP C[C@H](NC(=O)CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335840 1073561149 /nfs/dbraw/zinc/56/11/49/1073561149.db2.gz AJJCZBCINFLTLL-GJZGRUSLSA-N 2 0 391.520 -0.408 20 0 GBADRP C[C@@H](NC(=O)CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335844 1073560312 /nfs/dbraw/zinc/56/03/12/1073560312.db2.gz AJJCZBCINFLTLL-HUUCEWRRSA-N 2 0 391.520 -0.408 20 0 GBADRP C[C@H](NC(=O)CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(=O)N(C)C ZINC000662335847 1073560651 /nfs/dbraw/zinc/56/06/51/1073560651.db2.gz AJJCZBCINFLTLL-LSDHHAIUSA-N 2 0 391.520 -0.408 20 0 GBADRP O=C(CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000662337198 1073560708 /nfs/dbraw/zinc/56/07/08/1073560708.db2.gz JUXIEGVVWUCXPD-INIZCTEOSA-N 2 0 375.521 -0.179 20 0 GBADRP O=C(CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000662337199 1073561052 /nfs/dbraw/zinc/56/10/52/1073561052.db2.gz JUXIEGVVWUCXPD-MRXNPFEDSA-N 2 0 375.521 -0.179 20 0 GBADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401867 1073562796 /nfs/dbraw/zinc/56/27/96/1073562796.db2.gz RTTVFEITZUHLPN-CVEARBPZSA-N 2 0 389.504 -0.123 20 0 GBADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401868 1073563043 /nfs/dbraw/zinc/56/30/43/1073563043.db2.gz RTTVFEITZUHLPN-HOTGVXAUSA-N 2 0 389.504 -0.123 20 0 GBADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401869 1073563094 /nfs/dbraw/zinc/56/30/94/1073563094.db2.gz RTTVFEITZUHLPN-HZPDHXFCSA-N 2 0 389.504 -0.123 20 0 GBADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401870 1073562869 /nfs/dbraw/zinc/56/28/69/1073562869.db2.gz RTTVFEITZUHLPN-JKSUJKDBSA-N 2 0 389.504 -0.123 20 0 GBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662437428 1073565148 /nfs/dbraw/zinc/56/51/48/1073565148.db2.gz POSYUAKPDXPPLK-HNNXBMFYSA-N 2 0 377.493 -0.125 20 0 GBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662437430 1073565668 /nfs/dbraw/zinc/56/56/68/1073565668.db2.gz POSYUAKPDXPPLK-OAHLLOKOSA-N 2 0 377.493 -0.125 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662443925 1073566081 /nfs/dbraw/zinc/56/60/81/1073566081.db2.gz BEDFABCZBINQHU-UHFFFAOYSA-N 2 0 377.493 -0.171 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662445546 1073566114 /nfs/dbraw/zinc/56/61/14/1073566114.db2.gz SRDXXIVWQMEKCC-UHFFFAOYSA-N 2 0 375.477 -0.417 20 0 GBADRP [NH3+]CCn1cc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC000662529087 1073574998 /nfs/dbraw/zinc/57/49/98/1073574998.db2.gz OGKDWFIWRGWDPA-UHFFFAOYSA-N 2 0 385.472 -0.008 20 0 GBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnnn1C1CC[NH2+]CC1 ZINC000662561081 1073574338 /nfs/dbraw/zinc/57/43/38/1073574338.db2.gz OUKJHAMNFBWXEL-CYBMUJFWSA-N 2 0 375.399 -0.232 20 0 GBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnnn1C1CC[NH2+]CC1 ZINC000662561083 1073574252 /nfs/dbraw/zinc/57/42/52/1073574252.db2.gz OUKJHAMNFBWXEL-ZDUSSCGKSA-N 2 0 375.399 -0.232 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706827 1073584360 /nfs/dbraw/zinc/58/43/60/1073584360.db2.gz WZXUVWXKOTZNIJ-CABCVRRESA-N 2 0 377.493 -0.090 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706829 1073584097 /nfs/dbraw/zinc/58/40/97/1073584097.db2.gz WZXUVWXKOTZNIJ-GJZGRUSLSA-N 2 0 377.493 -0.090 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706831 1073584062 /nfs/dbraw/zinc/58/40/62/1073584062.db2.gz WZXUVWXKOTZNIJ-HUUCEWRRSA-N 2 0 377.493 -0.090 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662706833 1073583811 /nfs/dbraw/zinc/58/38/11/1073583811.db2.gz WZXUVWXKOTZNIJ-LSDHHAIUSA-N 2 0 377.493 -0.090 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662715549 1073410641 /nfs/dbraw/zinc/41/06/41/1073410641.db2.gz JZZYJJUTNSRHSR-INIZCTEOSA-N 2 0 389.504 -0.027 20 0 GBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662715551 1073410744 /nfs/dbraw/zinc/41/07/44/1073410744.db2.gz JZZYJJUTNSRHSR-MRXNPFEDSA-N 2 0 389.504 -0.027 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662921173 1073468994 /nfs/dbraw/zinc/46/89/94/1073468994.db2.gz FBKPHIDOUUMHKU-HNNXBMFYSA-N 2 0 391.520 -0.455 20 0 GBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662921174 1073469031 /nfs/dbraw/zinc/46/90/31/1073469031.db2.gz FBKPHIDOUUMHKU-OAHLLOKOSA-N 2 0 391.520 -0.455 20 0 GBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000662924684 1073471625 /nfs/dbraw/zinc/47/16/25/1073471625.db2.gz HGCRPRMOTONSOZ-UHFFFAOYSA-N 2 0 381.521 -0.366 20 0 GBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000662927730 1073472391 /nfs/dbraw/zinc/47/23/91/1073472391.db2.gz GXYMGJOLULBUMV-UHFFFAOYSA-N 2 0 383.537 -0.264 20 0 GBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662930462 1073473722 /nfs/dbraw/zinc/47/37/22/1073473722.db2.gz QKOSIOQQIVKMPM-MWDXBVQZSA-N 2 0 383.512 -0.099 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662930464 1073473383 /nfs/dbraw/zinc/47/33/83/1073473383.db2.gz QKOSIOQQIVKMPM-QBPKDAKJSA-N 2 0 383.512 -0.099 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662930467 1073473758 /nfs/dbraw/zinc/47/37/58/1073473758.db2.gz QKOSIOQQIVKMPM-YYIAUSFCSA-N 2 0 383.512 -0.099 20 0 GBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662930832 1073472695 /nfs/dbraw/zinc/47/26/95/1073472695.db2.gz WIZYYZTXCPGUHS-HLVUACMISA-N 2 0 377.533 -0.047 20 0 GBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662930833 1073472639 /nfs/dbraw/zinc/47/26/39/1073472639.db2.gz WIZYYZTXCPGUHS-VPRUJKLYSA-N 2 0 377.533 -0.047 20 0 GBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662930836 1073473643 /nfs/dbraw/zinc/47/36/43/1073473643.db2.gz WIZYYZTXCPGUHS-ZRDSACAASA-N 2 0 377.533 -0.047 20 0 GBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662942123 1073477086 /nfs/dbraw/zinc/47/70/86/1073477086.db2.gz DKPAQHZKZCDMHG-UHFFFAOYSA-N 2 0 377.533 -0.047 20 0 GBADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662942381 1073477045 /nfs/dbraw/zinc/47/70/45/1073477045.db2.gz WUJZOZYBZLELNY-UHFFFAOYSA-N 2 0 377.533 -0.188 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000662942791 1073478148 /nfs/dbraw/zinc/47/81/48/1073478148.db2.gz KQEWFROJFDIVRE-HNNXBMFYSA-N 2 0 381.521 -0.497 20 0 GBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000662942792 1073478082 /nfs/dbraw/zinc/47/80/82/1073478082.db2.gz KQEWFROJFDIVRE-OAHLLOKOSA-N 2 0 381.521 -0.497 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662943019 1073478574 /nfs/dbraw/zinc/47/85/74/1073478574.db2.gz ODCMGAMWBFIQHE-UHFFFAOYSA-N 2 0 377.533 -0.047 20 0 GBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662943214 1073479365 /nfs/dbraw/zinc/47/93/65/1073479365.db2.gz QVIJULVGQZRNTL-IAGOWNOFSA-N 2 0 383.512 -0.099 20 0 GBADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662943836 1073479140 /nfs/dbraw/zinc/47/91/40/1073479140.db2.gz YZYPSWWRSBIRDF-IAGOWNOFSA-N 2 0 383.512 -0.099 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946533 1073480413 /nfs/dbraw/zinc/48/04/13/1073480413.db2.gz VRUFKKBSBQYBHI-GXTWGEPZSA-N 2 0 376.461 -0.410 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946534 1073479944 /nfs/dbraw/zinc/47/99/44/1073479944.db2.gz VRUFKKBSBQYBHI-JSGCOSHPSA-N 2 0 376.461 -0.410 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946535 1073479906 /nfs/dbraw/zinc/47/99/06/1073479906.db2.gz VRUFKKBSBQYBHI-OCCSQVGLSA-N 2 0 376.461 -0.410 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1=O ZINC000662946536 1073480300 /nfs/dbraw/zinc/48/03/00/1073480300.db2.gz VRUFKKBSBQYBHI-TZMCWYRMSA-N 2 0 376.461 -0.410 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCO1 ZINC000662947426 1073480096 /nfs/dbraw/zinc/48/00/96/1073480096.db2.gz OQXROVGTGOQHBQ-KRWDZBQOSA-N 2 0 384.521 -0.088 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CCO1 ZINC000662947427 1073480268 /nfs/dbraw/zinc/48/02/68/1073480268.db2.gz OQXROVGTGOQHBQ-QGZVFWFLSA-N 2 0 384.521 -0.088 20 0 GBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000662948059 1073481542 /nfs/dbraw/zinc/48/15/42/1073481542.db2.gz RURIEIKBTYQEOW-MOPGFXCFSA-N 2 0 387.528 -0.137 20 0 GBADRP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000662948060 1073481170 /nfs/dbraw/zinc/48/11/70/1073481170.db2.gz RURIEIKBTYQEOW-OALUTQOASA-N 2 0 387.528 -0.137 20 0 GBADRP CN1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662948061 1073480928 /nfs/dbraw/zinc/48/09/28/1073480928.db2.gz RURIEIKBTYQEOW-RBUKOAKNSA-N 2 0 387.528 -0.137 20 0 GBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662948062 1073481350 /nfs/dbraw/zinc/48/13/50/1073481350.db2.gz RURIEIKBTYQEOW-RTBURBONSA-N 2 0 387.528 -0.137 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000662960548 1073486190 /nfs/dbraw/zinc/48/61/90/1073486190.db2.gz ADTBUQAGCZGEHC-IXDOHACOSA-N 2 0 392.504 -0.758 20 0 GBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000662960551 1073486781 /nfs/dbraw/zinc/48/67/81/1073486781.db2.gz ADTBUQAGCZGEHC-YESZJQIVSA-N 2 0 392.504 -0.758 20 0 GBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662962596 1073486231 /nfs/dbraw/zinc/48/62/31/1073486231.db2.gz XIYZZTFZGKDABL-KRWDZBQOSA-N 2 0 384.521 -0.217 20 0 GBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662962597 1073486542 /nfs/dbraw/zinc/48/65/42/1073486542.db2.gz XIYZZTFZGKDABL-QGZVFWFLSA-N 2 0 384.521 -0.217 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662976241 1073489231 /nfs/dbraw/zinc/48/92/31/1073489231.db2.gz MQZIUKSSNNIVCE-UHFFFAOYSA-N 2 0 382.505 -0.478 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000662984731 1073490394 /nfs/dbraw/zinc/49/03/94/1073490394.db2.gz UKHQYFMCRVQZKJ-OWCLPIDISA-N 2 0 379.505 -0.663 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000662984732 1073490673 /nfs/dbraw/zinc/49/06/73/1073490673.db2.gz UKHQYFMCRVQZKJ-PMPSAXMXSA-N 2 0 379.505 -0.663 20 0 GBADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000662986331 1073490727 /nfs/dbraw/zinc/49/07/27/1073490727.db2.gz LMNLPMKXFRAWTE-CVEARBPZSA-N 2 0 379.505 -0.661 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987534 1073490743 /nfs/dbraw/zinc/49/07/43/1073490743.db2.gz VPPSTJFRTHIKQW-CVEARBPZSA-N 2 0 381.521 -0.415 20 0 GBADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662990237 1073492389 /nfs/dbraw/zinc/49/23/89/1073492389.db2.gz QWSHJQLEDYMETL-HZPDHXFCSA-N 2 0 388.484 -0.530 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000662992146 1073492333 /nfs/dbraw/zinc/49/23/33/1073492333.db2.gz AWEVGBZHNIHOTP-DLBZAZTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000662992147 1073492348 /nfs/dbraw/zinc/49/23/48/1073492348.db2.gz AWEVGBZHNIHOTP-IAGOWNOFSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000662992148 1073492431 /nfs/dbraw/zinc/49/24/31/1073492431.db2.gz AWEVGBZHNIHOTP-IRXDYDNUSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000662992149 1073492401 /nfs/dbraw/zinc/49/24/01/1073492401.db2.gz AWEVGBZHNIHOTP-SJORKVTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCO1 ZINC000662993188 1073492203 /nfs/dbraw/zinc/49/22/03/1073492203.db2.gz NXFLMNZRSLNFNY-KSZLIROESA-N 2 0 396.532 -0.090 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCO1 ZINC000662993189 1073492424 /nfs/dbraw/zinc/49/24/24/1073492424.db2.gz NXFLMNZRSLNFNY-KURKYZTESA-N 2 0 396.532 -0.090 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCO1 ZINC000662993405 1073492440 /nfs/dbraw/zinc/49/24/40/1073492440.db2.gz OOJQBUZZUFYXEW-DLBZAZTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCO1 ZINC000662993406 1073492446 /nfs/dbraw/zinc/49/24/46/1073492446.db2.gz OOJQBUZZUFYXEW-IAGOWNOFSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCO1 ZINC000662993407 1073492455 /nfs/dbraw/zinc/49/24/55/1073492455.db2.gz OOJQBUZZUFYXEW-IRXDYDNUSA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCO1 ZINC000662993408 1073492460 /nfs/dbraw/zinc/49/24/60/1073492460.db2.gz OOJQBUZZUFYXEW-SJORKVTESA-N 2 0 381.521 -0.938 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000662993952 1073492449 /nfs/dbraw/zinc/49/24/49/1073492449.db2.gz SSPAKCSZWRNLKG-DLBZAZTESA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000662993956 1073492422 /nfs/dbraw/zinc/49/24/22/1073492422.db2.gz SSPAKCSZWRNLKG-IAGOWNOFSA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000662993958 1073492397 /nfs/dbraw/zinc/49/23/97/1073492397.db2.gz SSPAKCSZWRNLKG-IRXDYDNUSA-N 2 0 396.532 -0.231 20 0 GBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000662993960 1073492223 /nfs/dbraw/zinc/49/22/23/1073492223.db2.gz SSPAKCSZWRNLKG-SJORKVTESA-N 2 0 396.532 -0.231 20 0 GBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016663 1073496008 /nfs/dbraw/zinc/49/60/08/1073496008.db2.gz DKDMGKILMOWTCP-CABCVRRESA-N 2 0 389.504 -0.607 20 0 GBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016666 1073495872 /nfs/dbraw/zinc/49/58/72/1073495872.db2.gz DKDMGKILMOWTCP-GJZGRUSLSA-N 2 0 389.504 -0.607 20 0 GBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016667 1073496109 /nfs/dbraw/zinc/49/61/09/1073496109.db2.gz DKDMGKILMOWTCP-HUUCEWRRSA-N 2 0 389.504 -0.607 20 0 GBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016668 1073495950 /nfs/dbraw/zinc/49/59/50/1073495950.db2.gz DKDMGKILMOWTCP-LSDHHAIUSA-N 2 0 389.504 -0.607 20 0 GBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019162 1073495798 /nfs/dbraw/zinc/49/57/98/1073495798.db2.gz QZEVINHZOBIAKC-KDOFPFPSSA-N 2 0 391.520 -0.375 20 0 GBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019163 1073496992 /nfs/dbraw/zinc/49/69/92/1073496992.db2.gz QZEVINHZOBIAKC-KSSFIOAISA-N 2 0 391.520 -0.375 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663364510 1073570013 /nfs/dbraw/zinc/57/00/13/1073570013.db2.gz ITVBLXPXNWCRRO-LEWJYISDSA-N 2 0 392.544 -0.552 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663364511 1073569828 /nfs/dbraw/zinc/56/98/28/1073569828.db2.gz ITVBLXPXNWCRRO-NHCUHLMSSA-N 2 0 392.544 -0.552 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663364512 1073569934 /nfs/dbraw/zinc/56/99/34/1073569934.db2.gz ITVBLXPXNWCRRO-RTWAWAEBSA-N 2 0 392.544 -0.552 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC1 ZINC000663364514 1073569622 /nfs/dbraw/zinc/56/96/22/1073569622.db2.gz ITVBLXPXNWCRRO-SFTDATJTSA-N 2 0 392.544 -0.552 20 0 GBADRP Cc1c(N2CC[NH+](CCCO)CC2)ncnc1N1CC[NH+](CCCO)CC1 ZINC000663485235 1073596565 /nfs/dbraw/zinc/59/65/65/1073596565.db2.gz OCWRUNZSKBWUEA-UHFFFAOYSA-N 2 0 378.521 -0.206 20 0 GBADRP Cn1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(=O)n(C)c1=O ZINC000663509750 1073603594 /nfs/dbraw/zinc/60/35/94/1073603594.db2.gz CPJAXIPEVNFBSZ-AWEZNQCLSA-N 2 0 387.488 -0.404 20 0 GBADRP Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(=O)n(C)c1=O ZINC000663509755 1073603504 /nfs/dbraw/zinc/60/35/04/1073603504.db2.gz CPJAXIPEVNFBSZ-CQSZACIVSA-N 2 0 387.488 -0.404 20 0 GBADRP Cc1c(N2CC[NH+](C[C@H](C)O)CC2)ncnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000663540149 1073608575 /nfs/dbraw/zinc/60/85/75/1073608575.db2.gz RYAOWAXUGYSQCL-HOTGVXAUSA-N 2 0 378.521 -0.209 20 0 GBADRP Cc1c(N2CC[NH+](C[C@@H](C)O)CC2)ncnc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000663540153 1073608612 /nfs/dbraw/zinc/60/86/12/1073608612.db2.gz RYAOWAXUGYSQCL-HZPDHXFCSA-N 2 0 378.521 -0.209 20 0 GBADRP Cc1c(N2CCC[NH+](CCO)CC2)ncnc1N1CCC[N@H+](CCO)CC1 ZINC000663549238 1073610872 /nfs/dbraw/zinc/61/08/72/1073610872.db2.gz NFLZDFHBCTWMOG-UHFFFAOYSA-N 2 0 378.521 -0.206 20 0 GBADRP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000663562256 1073613665 /nfs/dbraw/zinc/61/36/65/1073613665.db2.gz YGUGFSCXFXPHPY-KRWDZBQOSA-N 2 0 384.569 -0.080 20 0 GBADRP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000663562260 1073613915 /nfs/dbraw/zinc/61/39/15/1073613915.db2.gz YGUGFSCXFXPHPY-QGZVFWFLSA-N 2 0 384.569 -0.080 20 0 GBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)ccc2oc1=O ZINC000663614191 1073624181 /nfs/dbraw/zinc/62/41/81/1073624181.db2.gz ONPORBDIXSZLTI-GOSISDBHSA-N 2 0 375.429 -0.037 20 0 GBADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)ccc2oc1=O ZINC000663614192 1073624018 /nfs/dbraw/zinc/62/40/18/1073624018.db2.gz ONPORBDIXSZLTI-SFHVURJKSA-N 2 0 375.429 -0.037 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(CO)(CO)C1 ZINC000663878136 1073855490 /nfs/dbraw/zinc/85/54/90/1073855490.db2.gz DZYIOFKZFZQBPZ-UHFFFAOYSA-N 2 0 377.489 -0.020 20 0 GBADRP C[NH+](C)[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1O ZINC000663880373 1073856440 /nfs/dbraw/zinc/85/64/40/1073856440.db2.gz QIKMIGTWLZDDDZ-ROUUACIJSA-N 3 0 376.505 -0.090 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000663915734 1073864508 /nfs/dbraw/zinc/86/45/08/1073864508.db2.gz IMLGWAIQZKMWFG-INIZCTEOSA-N 2 0 398.552 -0.410 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000663915735 1073864897 /nfs/dbraw/zinc/86/48/97/1073864897.db2.gz IMLGWAIQZKMWFG-MRXNPFEDSA-N 2 0 398.552 -0.410 20 0 GBADRP CN(CCC[NH+](C)C)CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000664030462 530163391 /nfs/dbraw/zinc/16/33/91/530163391.db2.gz ISUWDBFTTGEHKW-UHFFFAOYSA-N 2 0 395.595 -0.452 20 0 GBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664050487 1073890223 /nfs/dbraw/zinc/89/02/23/1073890223.db2.gz BAZNNKGADQIBQQ-UHFFFAOYSA-N 2 0 398.552 -0.410 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000664131444 1073923030 /nfs/dbraw/zinc/92/30/30/1073923030.db2.gz YBMYIBFPFDQYJO-INIZCTEOSA-N 2 0 382.553 -0.184 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000664131448 1073922978 /nfs/dbraw/zinc/92/29/78/1073922978.db2.gz YBMYIBFPFDQYJO-MRXNPFEDSA-N 2 0 382.553 -0.184 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000664143210 1073926816 /nfs/dbraw/zinc/92/68/16/1073926816.db2.gz OOYWKECGRSOJFD-KRWDZBQOSA-N 2 0 398.552 -0.946 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000664143211 1073926446 /nfs/dbraw/zinc/92/64/46/1073926446.db2.gz OOYWKECGRSOJFD-QGZVFWFLSA-N 2 0 398.552 -0.946 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173402 1073967040 /nfs/dbraw/zinc/96/70/40/1073967040.db2.gz FAYOYZILQWBETH-DOTOQJQBSA-N 2 0 381.521 -0.186 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000664173403 1073966918 /nfs/dbraw/zinc/96/69/18/1073966918.db2.gz FAYOYZILQWBETH-NVXWUHKLSA-N 2 0 381.521 -0.186 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000664173404 1073966862 /nfs/dbraw/zinc/96/68/62/1073966862.db2.gz FAYOYZILQWBETH-RDJZCZTQSA-N 2 0 381.521 -0.186 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000664173405 1073966777 /nfs/dbraw/zinc/96/67/77/1073966777.db2.gz FAYOYZILQWBETH-WBVHZDCISA-N 2 0 381.521 -0.186 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000664174985 1073966258 /nfs/dbraw/zinc/96/62/58/1073966258.db2.gz NFKCQPFGVUTUOF-HNNXBMFYSA-N 2 0 384.525 -0.765 20 0 GBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000664174986 1073966302 /nfs/dbraw/zinc/96/63/02/1073966302.db2.gz NFKCQPFGVUTUOF-OAHLLOKOSA-N 2 0 384.525 -0.765 20 0 GBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664222510 1073985165 /nfs/dbraw/zinc/98/51/65/1073985165.db2.gz WECKSMHUTVIEQK-KRWDZBQOSA-N 2 0 384.569 -0.079 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664222512 1073985400 /nfs/dbraw/zinc/98/54/00/1073985400.db2.gz WECKSMHUTVIEQK-QGZVFWFLSA-N 2 0 384.569 -0.079 20 0 GBADRP C[NH+](C)[C@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H]1O ZINC000664347525 1072520225 /nfs/dbraw/zinc/52/02/25/1072520225.db2.gz GNRQXXFZIPESEW-HOTGVXAUSA-N 2 0 383.537 -0.071 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016107 1073162043 /nfs/dbraw/zinc/16/20/43/1073162043.db2.gz MWNRWVBFZZHPPT-HNNXBMFYSA-N 2 0 392.570 -0.560 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016110 1073162061 /nfs/dbraw/zinc/16/20/61/1073162061.db2.gz MWNRWVBFZZHPPT-OAHLLOKOSA-N 2 0 392.570 -0.560 20 0 GBADRP CN(CCC[NH+](C)C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665127076 1073186663 /nfs/dbraw/zinc/18/66/63/1073186663.db2.gz CDMSPAFNAZUJOK-UHFFFAOYSA-N 2 0 398.596 -0.034 20 0 GBADRP CN1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3CN(C)CCO3)CCCCC2)C1 ZINC000665670652 1073502234 /nfs/dbraw/zinc/50/22/34/1073502234.db2.gz ZJCHXXUGSTZZSK-IAGOWNOFSA-N 2 0 396.532 -0.170 20 0 GBADRP CN1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3CN(C)CCO3)CCCCC2)C1 ZINC000665670653 1073502118 /nfs/dbraw/zinc/50/21/18/1073502118.db2.gz ZJCHXXUGSTZZSK-IRXDYDNUSA-N 2 0 396.532 -0.170 20 0 GBADRP C[NH+]1CCC(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)(N2CCOCC2)CC1 ZINC000665758390 1073515877 /nfs/dbraw/zinc/51/58/77/1073515877.db2.gz HORVFNLUHQUHKD-UHFFFAOYSA-N 2 0 397.564 -0.119 20 0 GBADRP CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000666110248 530137719 /nfs/dbraw/zinc/13/77/19/530137719.db2.gz BUQKIQLQHWCOHJ-CABCVRRESA-N 2 0 378.539 -0.287 20 0 GBADRP CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000666110249 530137556 /nfs/dbraw/zinc/13/75/56/530137556.db2.gz BUQKIQLQHWCOHJ-GJZGRUSLSA-N 2 0 378.539 -0.287 20 0 GBADRP CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000666110250 530137658 /nfs/dbraw/zinc/13/76/58/530137658.db2.gz BUQKIQLQHWCOHJ-HUUCEWRRSA-N 2 0 378.539 -0.287 20 0 GBADRP CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000666110251 530137662 /nfs/dbraw/zinc/13/76/62/530137662.db2.gz BUQKIQLQHWCOHJ-LSDHHAIUSA-N 2 0 378.539 -0.287 20 0 GBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000668512591 1072202997 /nfs/dbraw/zinc/20/29/97/1072202997.db2.gz SPMZFXCRHLPMCY-SFHVURJKSA-N 2 0 397.564 -0.301 20 0 GBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000668633425 1072382856 /nfs/dbraw/zinc/38/28/56/1072382856.db2.gz LOAGGMLZKXBUMN-QGZVFWFLSA-N 2 0 384.521 -0.217 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668786505 1072873320 /nfs/dbraw/zinc/87/33/20/1072873320.db2.gz BTCTYIUFEXMWGO-IAGOWNOFSA-N 2 0 382.505 -0.417 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668787557 1072878171 /nfs/dbraw/zinc/87/81/71/1072878171.db2.gz STRVQQNZDWGCCC-IAGOWNOFSA-N 2 0 384.521 -0.217 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668787560 1072877642 /nfs/dbraw/zinc/87/76/42/1072877642.db2.gz STRVQQNZDWGCCC-SJORKVTESA-N 2 0 384.521 -0.217 20 0 GBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670177766 530461295 /nfs/dbraw/zinc/46/12/95/530461295.db2.gz OIWFAZXMYOIFGI-UHFFFAOYSA-N 2 0 377.555 -0.018 20 0 GBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671032050 1073534783 /nfs/dbraw/zinc/53/47/83/1073534783.db2.gz DXKVBWJXHLHULL-UHFFFAOYSA-N 2 0 375.473 -0.041 20 0 GBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671172807 1073909658 /nfs/dbraw/zinc/90/96/58/1073909658.db2.gz CCAPBSAXFQNSOY-AEFFLSMTSA-N 2 0 379.549 -0.023 20 0 GBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000671172808 1073909368 /nfs/dbraw/zinc/90/93/68/1073909368.db2.gz CCAPBSAXFQNSOY-FUHWJXTLSA-N 2 0 379.549 -0.023 20 0 GBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981742 1072474942 /nfs/dbraw/zinc/47/49/42/1072474942.db2.gz PLIJMTKRXXFYRJ-CVEARBPZSA-N 2 0 381.521 -0.321 20 0 GBADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007753 1072450111 /nfs/dbraw/zinc/45/01/11/1072450111.db2.gz MFFHWRJGSNKVGP-DOTOQJQBSA-N 2 0 395.548 -0.108 20 0 GBADRP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007761 1072450236 /nfs/dbraw/zinc/45/02/36/1072450236.db2.gz MFFHWRJGSNKVGP-RDJZCZTQSA-N 2 0 395.548 -0.108 20 0 GBADRP C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000672007762 1072450554 /nfs/dbraw/zinc/45/05/54/1072450554.db2.gz MFFHWRJGSNKVGP-WBVHZDCISA-N 2 0 395.548 -0.108 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672012380 1072552918 /nfs/dbraw/zinc/55/29/18/1072552918.db2.gz RKLUOEUPAUQGNF-AEFFLSMTSA-N 2 0 395.548 -0.692 20 0 GBADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000684030021 1072480053 /nfs/dbraw/zinc/48/00/53/1072480053.db2.gz ZIPOZPGCLYROEB-GASCZTMLSA-N 2 0 380.493 -0.049 20 0 GBADRP CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000684030034 1072480388 /nfs/dbraw/zinc/48/03/88/1072480388.db2.gz ZVDLBRBZBMBZGH-UHFFFAOYSA-N 2 0 380.493 -0.048 20 0 GBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000685112635 1072450307 /nfs/dbraw/zinc/45/03/07/1072450307.db2.gz GHIDCMSSERZIDF-INIZCTEOSA-N 2 0 395.548 -0.060 20 0 GBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000685112637 1072450210 /nfs/dbraw/zinc/45/02/10/1072450210.db2.gz GHIDCMSSERZIDF-MRXNPFEDSA-N 2 0 395.548 -0.060 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000685277199 1072538227 /nfs/dbraw/zinc/53/82/27/1072538227.db2.gz YCLPCTTZRPLLMF-JFIYKMOQSA-N 2 0 377.533 -0.034 20 0 GBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000685277200 1072538174 /nfs/dbraw/zinc/53/81/74/1072538174.db2.gz YCLPCTTZRPLLMF-NUJGCVRESA-N 2 0 377.533 -0.034 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000685277201 1072538638 /nfs/dbraw/zinc/53/86/38/1072538638.db2.gz YCLPCTTZRPLLMF-RYRKJORJSA-N 2 0 377.533 -0.034 20 0 GBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000685277202 1072538883 /nfs/dbraw/zinc/53/88/83/1072538883.db2.gz YCLPCTTZRPLLMF-SOLBZPMBSA-N 2 0 377.533 -0.034 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000685301629 1072555799 /nfs/dbraw/zinc/55/57/99/1072555799.db2.gz SWFBZFIAAYYJEZ-DJIMGWMZSA-N 2 0 391.516 -0.650 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000685301632 1072555698 /nfs/dbraw/zinc/55/56/98/1072555698.db2.gz SWFBZFIAAYYJEZ-HYVNUMGLSA-N 2 0 391.516 -0.650 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000685301634 1072555533 /nfs/dbraw/zinc/55/55/33/1072555533.db2.gz SWFBZFIAAYYJEZ-OIISXLGYSA-N 2 0 391.516 -0.650 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000685301636 1072557022 /nfs/dbraw/zinc/55/70/22/1072557022.db2.gz SWFBZFIAAYYJEZ-PVAVHDDUSA-N 2 0 391.516 -0.650 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000685309065 1072562136 /nfs/dbraw/zinc/56/21/36/1072562136.db2.gz HAFQOEKNGLSYRQ-BPQIPLTHSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000685309069 1072562719 /nfs/dbraw/zinc/56/27/19/1072562719.db2.gz HAFQOEKNGLSYRQ-KBAYOESNSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000685309070 1072562897 /nfs/dbraw/zinc/56/28/97/1072562897.db2.gz HAFQOEKNGLSYRQ-NJAFHUGGSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000685309071 1072562966 /nfs/dbraw/zinc/56/29/66/1072562966.db2.gz HAFQOEKNGLSYRQ-NXHRZFHOSA-N 2 0 377.533 -0.176 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444463 1072595501 /nfs/dbraw/zinc/59/55/01/1072595501.db2.gz UJULGPJXIVYVQP-AEFFLSMTSA-N 2 0 377.533 -0.009 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444464 1072595542 /nfs/dbraw/zinc/59/55/42/1072595542.db2.gz UJULGPJXIVYVQP-FUHWJXTLSA-N 2 0 377.533 -0.009 20 0 GBADRP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444465 1072595024 /nfs/dbraw/zinc/59/50/24/1072595024.db2.gz UJULGPJXIVYVQP-SJLPKXTDSA-N 2 0 377.533 -0.009 20 0 GBADRP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000685444466 1072595340 /nfs/dbraw/zinc/59/53/40/1072595340.db2.gz UJULGPJXIVYVQP-WMZOPIPTSA-N 2 0 377.533 -0.009 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCNS(C)(=O)=O ZINC000727084961 637395487 /nfs/dbraw/zinc/39/54/87/637395487.db2.gz PEFXRXOHGQMOKT-AWEZNQCLSA-N 2 0 379.596 -0.242 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCCNS(C)(=O)=O ZINC000727084962 637395354 /nfs/dbraw/zinc/39/53/54/637395354.db2.gz PEFXRXOHGQMOKT-CQSZACIVSA-N 2 0 379.596 -0.242 20 0 GBADRP CC[NH+](CC)CC(=O)N1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000728905751 1073666018 /nfs/dbraw/zinc/66/60/18/1073666018.db2.gz VOYBLALBINBKEV-UHFFFAOYSA-N 2 0 394.520 -0.554 20 0 GBADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000728925957 1073777297 /nfs/dbraw/zinc/77/72/97/1073777297.db2.gz SAEXMCVIXJMTAM-UHFFFAOYSA-N 2 0 397.520 -0.323 20 0 GBADRP CCOC(=O)N1CCN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000729267696 637420108 /nfs/dbraw/zinc/42/01/08/637420108.db2.gz AUCSVNOVLKMOOQ-UHFFFAOYSA-N 2 0 379.527 -0.570 20 0 GBADRP CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000729267875 637420242 /nfs/dbraw/zinc/42/02/42/637420242.db2.gz VXXQHINQAABKGS-UHFFFAOYSA-N 2 0 392.547 -0.291 20 0 GBADRP CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CC[NH+](C)CC1 ZINC000735710599 598521192 /nfs/dbraw/zinc/52/11/92/598521192.db2.gz VRSMGTXBBYRBSZ-GDBMZVCRSA-N 2 0 388.524 -0.034 20 0 GBADRP CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CC[NH+](C)CC1 ZINC000735711136 598521083 /nfs/dbraw/zinc/52/10/83/598521083.db2.gz VRSMGTXBBYRBSZ-GOEBONIOSA-N 2 0 388.524 -0.034 20 0 GBADRP CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CC[NH+](C)CC1 ZINC000735711137 598521467 /nfs/dbraw/zinc/52/14/67/598521467.db2.gz VRSMGTXBBYRBSZ-HOCLYGCPSA-N 2 0 388.524 -0.034 20 0 GBADRP CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CC[NH+](C)CC1 ZINC000735711138 598521542 /nfs/dbraw/zinc/52/15/42/598521542.db2.gz VRSMGTXBBYRBSZ-ZBFHGGJFSA-N 2 0 388.524 -0.034 20 0 GBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736571502 598530891 /nfs/dbraw/zinc/53/08/91/598530891.db2.gz SCIXWLLIVJLNLQ-CABCVRRESA-N 2 0 388.524 -0.032 20 0 GBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736571503 598531047 /nfs/dbraw/zinc/53/10/47/598531047.db2.gz SCIXWLLIVJLNLQ-GJZGRUSLSA-N 2 0 388.524 -0.032 20 0 GBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736571504 598531166 /nfs/dbraw/zinc/53/11/66/598531166.db2.gz SCIXWLLIVJLNLQ-HUUCEWRRSA-N 2 0 388.524 -0.032 20 0 GBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736571505 598530636 /nfs/dbraw/zinc/53/06/36/598530636.db2.gz SCIXWLLIVJLNLQ-LSDHHAIUSA-N 2 0 388.524 -0.032 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000736767483 599023850 /nfs/dbraw/zinc/02/38/50/599023850.db2.gz QOSPVMRZRUJCNY-UHFFFAOYSA-N 2 0 390.496 -0.192 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736768008 599023887 /nfs/dbraw/zinc/02/38/87/599023887.db2.gz VQOICQVLWHOCLE-UHFFFAOYSA-N 2 0 390.496 -0.192 20 0 GBADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736768324 598531155 /nfs/dbraw/zinc/53/11/55/598531155.db2.gz DNLSUQMOGKZTBH-HNNXBMFYSA-N 2 0 388.524 -0.032 20 0 GBADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736768325 598531082 /nfs/dbraw/zinc/53/10/82/598531082.db2.gz DNLSUQMOGKZTBH-OAHLLOKOSA-N 2 0 388.524 -0.032 20 0 GBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)CC1 ZINC000736851503 598777168 /nfs/dbraw/zinc/77/71/68/598777168.db2.gz JNCRPZPVKRRTEV-KBPBESRZSA-N 2 0 386.508 -0.137 20 0 GBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)CC1 ZINC000736851504 598777216 /nfs/dbraw/zinc/77/72/16/598777216.db2.gz JNCRPZPVKRRTEV-KGLIPLIRSA-N 2 0 386.508 -0.137 20 0 GBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)CC1 ZINC000736851505 598777067 /nfs/dbraw/zinc/77/70/67/598777067.db2.gz JNCRPZPVKRRTEV-UONOGXRCSA-N 2 0 386.508 -0.137 20 0 GBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)CC1 ZINC000736851506 598776751 /nfs/dbraw/zinc/77/67/51/598776751.db2.gz JNCRPZPVKRRTEV-ZIAGYGMSSA-N 2 0 386.508 -0.137 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745538 598531551 /nfs/dbraw/zinc/53/15/51/598531551.db2.gz PDDBOAIOEFHZAT-CHWSQXEVSA-N 2 0 388.480 -0.718 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745541 598531217 /nfs/dbraw/zinc/53/12/17/598531217.db2.gz PDDBOAIOEFHZAT-OLZOCXBDSA-N 2 0 388.480 -0.718 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745543 598531276 /nfs/dbraw/zinc/53/12/76/598531276.db2.gz PDDBOAIOEFHZAT-QWHCGFSZSA-N 2 0 388.480 -0.718 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737745546 598531386 /nfs/dbraw/zinc/53/13/86/598531386.db2.gz PDDBOAIOEFHZAT-STQMWFEESA-N 2 0 388.480 -0.718 20 0 GBADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394090 598713419 /nfs/dbraw/zinc/71/34/19/598713419.db2.gz PXGCGQGEBCAHRD-KBPBESRZSA-N 2 0 375.481 -0.069 20 0 GBADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394093 598713269 /nfs/dbraw/zinc/71/32/69/598713269.db2.gz PXGCGQGEBCAHRD-KGLIPLIRSA-N 2 0 375.481 -0.069 20 0 GBADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394095 598713191 /nfs/dbraw/zinc/71/31/91/598713191.db2.gz PXGCGQGEBCAHRD-UONOGXRCSA-N 2 0 375.481 -0.069 20 0 GBADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738394097 598713678 /nfs/dbraw/zinc/71/36/78/598713678.db2.gz PXGCGQGEBCAHRD-ZIAGYGMSSA-N 2 0 375.481 -0.069 20 0 GBADRP CCNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000745811464 637641739 /nfs/dbraw/zinc/64/17/39/637641739.db2.gz HCJDAGFXLAVUDJ-HNNXBMFYSA-N 2 0 377.555 -0.017 20 0 GBADRP CCNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000745811472 637641551 /nfs/dbraw/zinc/64/15/51/637641551.db2.gz HCJDAGFXLAVUDJ-OAHLLOKOSA-N 2 0 377.555 -0.017 20 0 GBADRP NS(=O)(=O)[C@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224928 637782475 /nfs/dbraw/zinc/78/24/75/637782475.db2.gz DILPEULZTLFKSI-KBPBESRZSA-N 2 0 382.552 -0.728 20 0 GBADRP NS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000772224929 637782129 /nfs/dbraw/zinc/78/21/29/637782129.db2.gz DILPEULZTLFKSI-OKILXGFUSA-N 2 0 382.552 -0.728 20 0 GBADRP NS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000772224930 637782255 /nfs/dbraw/zinc/78/22/55/637782255.db2.gz DILPEULZTLFKSI-ZIAGYGMSSA-N 2 0 382.552 -0.728 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000785401176 1073040315 /nfs/dbraw/zinc/04/03/15/1073040315.db2.gz WNLCYYXMNGIZHD-BBWFWOEESA-N 2 0 382.505 -0.561 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000785401183 1073040104 /nfs/dbraw/zinc/04/01/04/1073040104.db2.gz WNLCYYXMNGIZHD-BRWVUGGUSA-N 2 0 382.505 -0.561 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000785401184 1073039995 /nfs/dbraw/zinc/03/99/95/1073039995.db2.gz WNLCYYXMNGIZHD-GVDBMIGSSA-N 2 0 382.505 -0.561 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000785401186 1073039808 /nfs/dbraw/zinc/03/98/08/1073039808.db2.gz WNLCYYXMNGIZHD-ZACQAIPSSA-N 2 0 382.505 -0.561 20 0 GBADRP CCOC(=O)C1([C@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000817909475 637977800 /nfs/dbraw/zinc/97/78/00/637977800.db2.gz SBFTVGXIWNNCFZ-AWEZNQCLSA-N 2 0 377.507 -0.441 20 0 GBADRP CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000817909476 637978589 /nfs/dbraw/zinc/97/85/89/637978589.db2.gz SBFTVGXIWNNCFZ-CQSZACIVSA-N 2 0 377.507 -0.441 20 0 GBADRP CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000820067659 637991211 /nfs/dbraw/zinc/99/12/11/637991211.db2.gz BPPOZUPXVQKWHE-HNNXBMFYSA-N 2 0 377.555 -0.065 20 0 GBADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000820133485 606741808 /nfs/dbraw/zinc/74/18/08/606741808.db2.gz SRPWQISRAVBSJY-CYBMUJFWSA-N 2 0 375.481 -0.070 20 0 GBADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000820133487 606741811 /nfs/dbraw/zinc/74/18/11/606741811.db2.gz SRPWQISRAVBSJY-ZDUSSCGKSA-N 2 0 375.481 -0.070 20 0 GBADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000821254519 606702297 /nfs/dbraw/zinc/70/22/97/606702297.db2.gz MRZIUTVBUBMIID-UHFFFAOYSA-N 2 0 390.496 -0.363 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821586214 606284446 /nfs/dbraw/zinc/28/44/46/606284446.db2.gz OGKHAGHBSGVGEC-UHFFFAOYSA-N 2 0 388.476 -0.452 20 0 GBADRP COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000828202917 1073634643 /nfs/dbraw/zinc/63/46/43/1073634643.db2.gz OBSYPJJMRWARFA-AWEZNQCLSA-N 2 0 383.493 -0.572 20 0 GBADRP COC(=O)N(C)CCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000828202918 1073634747 /nfs/dbraw/zinc/63/47/47/1073634747.db2.gz OBSYPJJMRWARFA-CQSZACIVSA-N 2 0 383.493 -0.572 20 0 GBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@H]1C[NH+](C)C ZINC000867589826 638270754 /nfs/dbraw/zinc/27/07/54/638270754.db2.gz KXSQBGQFQBCYDP-IAGOWNOFSA-N 2 0 376.567 -0.290 20 0 GBADRP COCCN(CCOC)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589957 638270970 /nfs/dbraw/zinc/27/09/70/638270970.db2.gz UMSNGDYSJCDXCF-HZPDHXFCSA-N 2 0 380.555 -0.503 20 0 GBADRP CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591000 638271041 /nfs/dbraw/zinc/27/10/41/638271041.db2.gz WMYZZQNAPLCTCM-HUUCEWRRSA-N 2 0 398.595 -0.731 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000870017051 638277793 /nfs/dbraw/zinc/27/77/93/638277793.db2.gz GMNOOMUYOCJYOK-RBSFLKMASA-N 2 0 375.539 -0.900 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000870017052 638277687 /nfs/dbraw/zinc/27/76/87/638277687.db2.gz GMNOOMUYOCJYOK-RRFJBIMHSA-N 2 0 375.539 -0.900 20 0 GBADRP CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020051 638278021 /nfs/dbraw/zinc/27/80/21/638278021.db2.gz ASBQBLVGCCODOY-HUUCEWRRSA-N 2 0 378.539 -0.860 20 0 GBADRP COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020945 638277926 /nfs/dbraw/zinc/27/79/26/638277926.db2.gz XJPKVQLZFAXGGR-HUUCEWRRSA-N 2 0 378.539 -0.860 20 0 GBADRP CN(CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000875095794 638287808 /nfs/dbraw/zinc/28/78/08/638287808.db2.gz PCSOMODZZCDCTA-HUUCEWRRSA-N 2 0 377.555 -0.351 20 0 GBADRP CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875179885 638288540 /nfs/dbraw/zinc/28/85/40/638288540.db2.gz LKMDEOQNESQCQS-HUUCEWRRSA-N 2 0 377.555 -0.305 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)NS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000875263601 638288282 /nfs/dbraw/zinc/28/82/82/638288282.db2.gz AWWWYMFCLOXOHB-ZIAGYGMSSA-N 2 0 377.555 -0.305 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC(NS(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000875564823 638289337 /nfs/dbraw/zinc/28/93/37/638289337.db2.gz LGTZEYHJCLIECE-LMRVLLHPSA-N 2 0 375.539 -0.553 20 0 GBADRP CC[C@@H](CNS(C)(=O)=O)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875635075 638289359 /nfs/dbraw/zinc/28/93/59/638289359.db2.gz SWZDTHRQEBBVTP-KFWWJZLASA-N 2 0 377.555 -0.305 20 0 GBADRP CC[C@H](CNS(C)(=O)=O)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875635076 638289283 /nfs/dbraw/zinc/28/92/83/638289283.db2.gz SWZDTHRQEBBVTP-RBSFLKMASA-N 2 0 377.555 -0.305 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000875694582 638289390 /nfs/dbraw/zinc/28/93/90/638289390.db2.gz QQYFHIABTFVITD-KFWWJZLASA-N 2 0 375.539 -0.599 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000875694583 638289227 /nfs/dbraw/zinc/28/92/27/638289227.db2.gz QQYFHIABTFVITD-RBSFLKMASA-N 2 0 375.539 -0.599 20 0 GBADRP CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875731562 638289251 /nfs/dbraw/zinc/28/92/51/638289251.db2.gz QLIYXSNBXOTHBX-APIJFGDWSA-N 2 0 376.523 -0.821 20 0 GBADRP CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875731563 638290001 /nfs/dbraw/zinc/29/00/01/638290001.db2.gz QLIYXSNBXOTHBX-KBUPBQIOSA-N 2 0 376.523 -0.821 20 0 GBADRP CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875731564 638290027 /nfs/dbraw/zinc/29/00/27/638290027.db2.gz QLIYXSNBXOTHBX-KBXIAJHMSA-N 2 0 376.523 -0.821 20 0 GBADRP CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875731565 638289811 /nfs/dbraw/zinc/28/98/11/638289811.db2.gz QLIYXSNBXOTHBX-TUVASFSCSA-N 2 0 376.523 -0.821 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)CS(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC000876218651 638289982 /nfs/dbraw/zinc/28/99/82/638289982.db2.gz BDJTZIASOFAYCB-ZIAGYGMSSA-N 2 0 377.555 -0.318 20 0 GBADRP CN(C)S(=O)(=O)CCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000882082849 638306680 /nfs/dbraw/zinc/30/66/80/638306680.db2.gz WJEYYSCJZCQXJO-UHFFFAOYSA-N 2 0 384.568 -0.835 20 0 GBADRP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCS(=O)(=O)NC)CC1 ZINC000886386725 638322606 /nfs/dbraw/zinc/32/26/06/638322606.db2.gz DTQSJUWYMDBBLM-HDJSIYSDSA-N 2 0 384.568 -0.740 20 0 GBADRP C[NH+](CCNS(C)(=O)=O)[C@H]1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)CC1 ZINC000886394167 638322542 /nfs/dbraw/zinc/32/25/42/638322542.db2.gz SRLMMJHOYJCLMH-HDJSIYSDSA-N 2 0 384.568 -0.740 20 0 GBADRP CN(C)S(=O)(=O)C1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000891034688 1072332476 /nfs/dbraw/zinc/33/24/76/1072332476.db2.gz ZGPVXKTZYOKYFL-HUUCEWRRSA-N 2 0 389.566 -0.209 20 0 GBADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891339875 1072511253 /nfs/dbraw/zinc/51/12/53/1072511253.db2.gz IMOYYHBZCMHETP-BBWFWOEESA-N 2 0 394.520 -0.411 20 0 GBADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891339876 1072511056 /nfs/dbraw/zinc/51/10/56/1072511056.db2.gz IMOYYHBZCMHETP-ZACQAIPSSA-N 2 0 394.520 -0.411 20 0 GBADRP COCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891439265 1072614282 /nfs/dbraw/zinc/61/42/82/1072614282.db2.gz HCIMPYWVLHHXBY-OAGGEKHMSA-N 2 0 381.477 -0.326 20 0 GBADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891439266 1072614446 /nfs/dbraw/zinc/61/44/46/1072614446.db2.gz HCIMPYWVLHHXBY-XHSDSOJGSA-N 2 0 381.477 -0.326 20 0 GBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513424 1072173708 /nfs/dbraw/zinc/17/37/08/1072173708.db2.gz CCHNLMMECOKZDC-GCSSGZNBSA-N 2 0 379.461 -0.574 20 0 GBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513431 1072173818 /nfs/dbraw/zinc/17/38/18/1072173818.db2.gz CCHNLMMECOKZDC-JKJDWNRSSA-N 2 0 379.461 -0.574 20 0 GBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513432 1072173535 /nfs/dbraw/zinc/17/35/35/1072173535.db2.gz CCHNLMMECOKZDC-QCODTGAPSA-N 2 0 379.461 -0.574 20 0 GBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891513433 1072173478 /nfs/dbraw/zinc/17/34/78/1072173478.db2.gz CCHNLMMECOKZDC-RBZJEDDUSA-N 2 0 379.461 -0.574 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538403 1072175331 /nfs/dbraw/zinc/17/53/31/1072175331.db2.gz XSQURAUMERYUTC-FPCVCCKLSA-N 2 0 381.477 -0.326 20 0 GBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538404 1072175719 /nfs/dbraw/zinc/17/57/19/1072175719.db2.gz XSQURAUMERYUTC-JJXSEGSLSA-N 2 0 381.477 -0.326 20 0 GBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538405 1072175379 /nfs/dbraw/zinc/17/53/79/1072175379.db2.gz XSQURAUMERYUTC-JONQDZQNSA-N 2 0 381.477 -0.326 20 0 GBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891538406 1072175361 /nfs/dbraw/zinc/17/53/61/1072175361.db2.gz XSQURAUMERYUTC-QXSJWSMHSA-N 2 0 381.477 -0.326 20 0 GBADRP COCCC1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000891565474 1072180216 /nfs/dbraw/zinc/18/02/16/1072180216.db2.gz PDAJRNRADUYOEV-KRWDZBQOSA-N 2 0 383.537 -0.149 20 0 GBADRP COCCC1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000891565476 1072180303 /nfs/dbraw/zinc/18/03/03/1072180303.db2.gz PDAJRNRADUYOEV-QGZVFWFLSA-N 2 0 383.537 -0.149 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565488 1072179902 /nfs/dbraw/zinc/17/99/02/1072179902.db2.gz PFHUHUZDWBVXIC-MSOLQXFVSA-N 2 0 395.548 -0.149 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565490 1072180382 /nfs/dbraw/zinc/18/03/82/1072180382.db2.gz PFHUHUZDWBVXIC-QZTJIDSGSA-N 2 0 395.548 -0.149 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565492 1072179950 /nfs/dbraw/zinc/17/99/50/1072179950.db2.gz PFHUHUZDWBVXIC-ROUUACIJSA-N 2 0 395.548 -0.149 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565494 1072180238 /nfs/dbraw/zinc/18/02/38/1072180238.db2.gz PFHUHUZDWBVXIC-ZWKOTPCHSA-N 2 0 395.548 -0.149 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567039 1072180041 /nfs/dbraw/zinc/18/00/41/1072180041.db2.gz UXBJMTBJBGNFIT-CABCVRRESA-N 2 0 375.464 -0.063 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567040 1072180359 /nfs/dbraw/zinc/18/03/59/1072180359.db2.gz UXBJMTBJBGNFIT-GJZGRUSLSA-N 2 0 375.464 -0.063 20 0 GBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567041 1072180396 /nfs/dbraw/zinc/18/03/96/1072180396.db2.gz UXBJMTBJBGNFIT-HUUCEWRRSA-N 2 0 375.464 -0.063 20 0 GBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567042 1072180338 /nfs/dbraw/zinc/18/03/38/1072180338.db2.gz UXBJMTBJBGNFIT-LSDHHAIUSA-N 2 0 375.464 -0.063 20 0 GBADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891778686 1072213165 /nfs/dbraw/zinc/21/31/65/1072213165.db2.gz JUAMHCPSLIFUQK-OAGGEKHMSA-N 2 0 383.493 -0.079 20 0 GBADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891778687 1072213070 /nfs/dbraw/zinc/21/30/70/1072213070.db2.gz JUAMHCPSLIFUQK-XHSDSOJGSA-N 2 0 383.493 -0.079 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000891881399 1072237685 /nfs/dbraw/zinc/23/76/85/1072237685.db2.gz WESSMPHKUUQGPW-OAGGEKHMSA-N 2 0 394.520 -0.411 20 0 GBADRP C[N@@H+]1CCN(CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000891881403 1072237543 /nfs/dbraw/zinc/23/75/43/1072237543.db2.gz WESSMPHKUUQGPW-XHSDSOJGSA-N 2 0 394.520 -0.411 20 0 GBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109772 1072298197 /nfs/dbraw/zinc/29/81/97/1072298197.db2.gz WOUIZZNNXABDRN-QWHCGFSZSA-N 2 0 381.443 -0.033 20 0 GBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000892109774 1072298175 /nfs/dbraw/zinc/29/81/75/1072298175.db2.gz WOUIZZNNXABDRN-STQMWFEESA-N 2 0 381.443 -0.033 20 0 GBADRP COCC1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]CC1 ZINC000892113784 1072298812 /nfs/dbraw/zinc/29/88/12/1072298812.db2.gz SIHYAWGXCKTZSD-KFWWJZLASA-N 2 0 381.477 -0.421 20 0 GBADRP COCC1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]CC1 ZINC000892113788 1072298907 /nfs/dbraw/zinc/29/89/07/1072298907.db2.gz SIHYAWGXCKTZSD-ZNMIVQPWSA-N 2 0 381.477 -0.421 20 0 GBADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc2F)CC1 ZINC000892209359 1072320357 /nfs/dbraw/zinc/32/03/57/1072320357.db2.gz IOAVYMLVBIIWAL-UHFFFAOYSA-N 2 0 395.479 -0.054 20 0 GBADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000892219840 1072323893 /nfs/dbraw/zinc/32/38/93/1072323893.db2.gz AGUJICFMJABOOR-UHFFFAOYSA-N 2 0 377.489 -0.587 20 0 GBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@H+](C)CCO)c2)CC1 ZINC000892220422 1072325109 /nfs/dbraw/zinc/32/51/09/1072325109.db2.gz UNZFWLTXBQFMBN-UHFFFAOYSA-N 2 0 377.489 -0.193 20 0 GBADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc2)CC1 ZINC000892221318 1072325516 /nfs/dbraw/zinc/32/55/16/1072325516.db2.gz SAZQAENXPTXTLC-UHFFFAOYSA-N 2 0 391.516 -0.197 20 0 GBADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000892221359 1072325410 /nfs/dbraw/zinc/32/54/10/1072325410.db2.gz UKSJRELXBOZYST-UHFFFAOYSA-N 2 0 377.489 -0.193 20 0 GBADRP CN1Cc2ccccc2[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000892614754 1072977861 /nfs/dbraw/zinc/97/78/61/1072977861.db2.gz MSSZYFJPCCHMSJ-KRWDZBQOSA-N 2 0 393.513 -0.198 20 0 GBADRP CN1Cc2ccccc2[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000892614772 1072978174 /nfs/dbraw/zinc/97/81/74/1072978174.db2.gz MSSZYFJPCCHMSJ-QGZVFWFLSA-N 2 0 393.513 -0.198 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892755052 1073135763 /nfs/dbraw/zinc/13/57/63/1073135763.db2.gz DXFMPDVWJYYLEI-DLBZAZTESA-N 2 0 393.532 -0.002 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892755054 1073136198 /nfs/dbraw/zinc/13/61/98/1073136198.db2.gz DXFMPDVWJYYLEI-IAGOWNOFSA-N 2 0 393.532 -0.002 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892755055 1073136187 /nfs/dbraw/zinc/13/61/87/1073136187.db2.gz DXFMPDVWJYYLEI-IRXDYDNUSA-N 2 0 393.532 -0.002 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892755059 1073135733 /nfs/dbraw/zinc/13/57/33/1073135733.db2.gz DXFMPDVWJYYLEI-SJORKVTESA-N 2 0 393.532 -0.002 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892759963 1073136845 /nfs/dbraw/zinc/13/68/45/1073136845.db2.gz LZNDCKBJNNBRFR-INIZCTEOSA-N 2 0 394.520 -0.503 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892759976 1073136879 /nfs/dbraw/zinc/13/68/79/1073136879.db2.gz LZNDCKBJNNBRFR-MRXNPFEDSA-N 2 0 394.520 -0.503 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892761033 1073137607 /nfs/dbraw/zinc/13/76/07/1073137607.db2.gz SNXOYVGOEAXJOT-FPCVCCKLSA-N 2 0 393.488 -0.278 20 0 GBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892761034 1073136194 /nfs/dbraw/zinc/13/61/94/1073136194.db2.gz SNXOYVGOEAXJOT-JJXSEGSLSA-N 2 0 393.488 -0.278 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892761035 1073136149 /nfs/dbraw/zinc/13/61/49/1073136149.db2.gz SNXOYVGOEAXJOT-JONQDZQNSA-N 2 0 393.488 -0.278 20 0 GBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892761036 1073135681 /nfs/dbraw/zinc/13/56/81/1073135681.db2.gz SNXOYVGOEAXJOT-QXSJWSMHSA-N 2 0 393.488 -0.278 20 0 GBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCN(C(=O)N3CC[NH2+]CC3)CC1)C2 ZINC000892877501 1073149608 /nfs/dbraw/zinc/14/96/08/1073149608.db2.gz GUACCBAXYQWEAP-UHFFFAOYSA-N 2 0 393.517 -0.277 20 0 GBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000892920071 1073153545 /nfs/dbraw/zinc/15/35/45/1073153545.db2.gz ROKLUDRRQHURFU-UHFFFAOYSA-N 2 0 382.553 -0.182 20 0 GBADRP CN1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+](C)CC1 ZINC000893053484 1073211594 /nfs/dbraw/zinc/21/15/94/1073211594.db2.gz NBGNGWKHZIAAPZ-GOSISDBHSA-N 2 0 382.553 -0.718 20 0 GBADRP CN1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+](C)CC1 ZINC000893053490 1073211072 /nfs/dbraw/zinc/21/10/72/1073211072.db2.gz NBGNGWKHZIAAPZ-SFHVURJKSA-N 2 0 382.553 -0.718 20 0 GBADRP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893053955 1073211468 /nfs/dbraw/zinc/21/14/68/1073211468.db2.gz SNPJAHPGDJYUJX-CEXWTWQISA-N 2 0 395.548 -0.367 20 0 GBADRP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893053957 1073212481 /nfs/dbraw/zinc/21/24/81/1073212481.db2.gz SNPJAHPGDJYUJX-GUDVDZBRSA-N 2 0 395.548 -0.367 20 0 GBADRP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893053960 1073212043 /nfs/dbraw/zinc/21/20/43/1073212043.db2.gz SNPJAHPGDJYUJX-QRVBRYPASA-N 2 0 395.548 -0.367 20 0 GBADRP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893053962 1073212390 /nfs/dbraw/zinc/21/23/90/1073212390.db2.gz SNPJAHPGDJYUJX-QYZOEREBSA-N 2 0 395.548 -0.367 20 0 GBADRP C[NH+]1C[C@H]2CN(c3nc(NC4CC4)nc(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000893548801 1073547195 /nfs/dbraw/zinc/54/71/95/1073547195.db2.gz KCBQGSPMEBGRPZ-GEEKYZPCSA-N 2 0 384.532 -0.137 20 0 GBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN(C)CC[NH+](C)CC1)C2 ZINC000894788770 1073036190 /nfs/dbraw/zinc/03/61/90/1073036190.db2.gz YQQZMBUTOFHAAH-AYHJJNSGSA-N 2 0 394.564 -0.041 20 0 GBADRP CN1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+](C)CC1 ZINC000895334736 1073315005 /nfs/dbraw/zinc/31/50/05/1073315005.db2.gz SJPXADXCJNXAQQ-UHFFFAOYSA-N 2 0 396.580 -0.328 20 0 GBADRP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCC(O)CC2)(N2CCOCC2)CC1 ZINC000895335216 1073314622 /nfs/dbraw/zinc/31/46/22/1073314622.db2.gz XIBXSXAQFDPRKJ-UHFFFAOYSA-N 2 0 383.537 -0.461 20 0 GBADRP CN(CCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895760601 1073325727 /nfs/dbraw/zinc/32/57/27/1073325727.db2.gz HPYJGKNUNLZJLP-HDICACEKSA-N 2 0 394.516 -0.655 20 0 GBADRP CN(CCN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895760606 1073325803 /nfs/dbraw/zinc/32/58/03/1073325803.db2.gz HPYJGKNUNLZJLP-QZTJIDSGSA-N 2 0 394.516 -0.655 20 0 GBADRP CN(CCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895760608 1073325285 /nfs/dbraw/zinc/32/52/85/1073325285.db2.gz HPYJGKNUNLZJLP-ROUUACIJSA-N 2 0 394.516 -0.655 20 0 GBADRP O=C(NCC[NH+]1CCC(O)CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896467315 1073341319 /nfs/dbraw/zinc/34/13/19/1073341319.db2.gz AVFRMKPHDPGHMW-KRWDZBQOSA-N 2 0 383.537 -0.461 20 0 GBADRP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896467316 1073341533 /nfs/dbraw/zinc/34/15/33/1073341533.db2.gz AVFRMKPHDPGHMW-QGZVFWFLSA-N 2 0 383.537 -0.461 20 0 GBADRP CN1CCN(C(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+](C)CC1 ZINC000896468594 1073341601 /nfs/dbraw/zinc/34/16/01/1073341601.db2.gz QMUSPCYWKBNDEH-IBGZPJMESA-N 2 0 396.580 -0.328 20 0 GBADRP CN1CCN(C(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)CC[N@H+](C)CC1 ZINC000896468598 1073341166 /nfs/dbraw/zinc/34/11/66/1073341166.db2.gz QMUSPCYWKBNDEH-LJQANCHMSA-N 2 0 396.580 -0.328 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)cn1 ZINC000896663133 1073363727 /nfs/dbraw/zinc/36/37/27/1073363727.db2.gz YQOLCCZMJSYUTC-UHFFFAOYSA-N 2 0 378.477 -0.390 20 0 GBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNc1ccc(S(N)(=O)=O)cc1F ZINC000896682042 1073363772 /nfs/dbraw/zinc/36/37/72/1073363772.db2.gz PZDZIBVXWRXDHV-UHFFFAOYSA-N 2 0 389.497 -0.163 20 0 GBADRP CN1CCN(c2cnc(N3CCN(C)CC[N@@H+](C)CC3)cn2)CC[NH+](C)CC1 ZINC000897095022 1073479536 /nfs/dbraw/zinc/47/95/36/1073479536.db2.gz OJGMCJKZXARLHQ-UHFFFAOYSA-N 2 0 390.580 -0.156 20 0 GBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905521009 637441420 /nfs/dbraw/zinc/44/14/20/637441420.db2.gz NUTJMRXMHPDLDI-HNNXBMFYSA-N 2 0 376.567 -0.175 20 0 GBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905521010 637441367 /nfs/dbraw/zinc/44/13/67/637441367.db2.gz NUTJMRXMHPDLDI-OAHLLOKOSA-N 2 0 376.567 -0.175 20 0 GBADRP [NH3+]CCn1cc(Br)cc(C(=O)NCCCN2CC[NH2+]CC2)c1=O ZINC000911629855 637469241 /nfs/dbraw/zinc/46/92/41/637469241.db2.gz LBXGZVPPLKVLJV-UHFFFAOYSA-N 2 0 386.294 -0.405 20 0 GBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911775339 637469004 /nfs/dbraw/zinc/46/90/04/637469004.db2.gz RTGMKDIBLJAKAU-UHFFFAOYSA-N 2 0 386.294 -0.453 20 0 GBADRP Cc1nn(CCS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c(=O)o1 ZINC000914391766 637508350 /nfs/dbraw/zinc/50/83/50/637508350.db2.gz YINMGXLULMQCDL-UHFFFAOYSA-N 2 0 375.495 -0.568 20 0 GBADRP C[NH+](C)CCNC(=S)NCCN1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000916114800 637532643 /nfs/dbraw/zinc/53/26/43/637532643.db2.gz IGGWZYZYKINYSL-UHFFFAOYSA-N 2 0 389.639 -0.934 20 0 GBADRP C[NH+](C)C1CC(NS(=O)(=O)CCCS(=O)(=O)NC2CC([NH+](C)C)C2)C1 ZINC000916931907 637535496 /nfs/dbraw/zinc/53/54/96/637535496.db2.gz SVEULJJCLLDWHR-UHFFFAOYSA-N 2 0 396.579 -0.600 20 0 GBADRP Cc1nn(CCS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)o1 ZINC000918537943 637543010 /nfs/dbraw/zinc/54/30/10/637543010.db2.gz STSNNWQHYJTFDQ-ZIAGYGMSSA-N 2 0 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CC(C)(C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573761093 948833687 /nfs/dbraw/zinc/83/36/87/948833687.db2.gz AZQLJZWCYQIRAA-UHFFFAOYSA-N 2 0 388.476 -0.209 20 0 GBADRP CC(C)(C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573773400 948982724 /nfs/dbraw/zinc/98/27/24/948982724.db2.gz ATPAKPYVIGCYLX-CYBMUJFWSA-N 2 0 388.476 -0.163 20 0 GBADRP CC(C)(C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573773401 948984565 /nfs/dbraw/zinc/98/45/65/948984565.db2.gz ATPAKPYVIGCYLX-ZDUSSCGKSA-N 2 0 388.476 -0.163 20 0 GBADRP CC(C)(C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573774506 949014490 /nfs/dbraw/zinc/01/44/90/949014490.db2.gz SZUWHQFMVPVLOW-CYBMUJFWSA-N 2 0 388.476 -0.163 20 0 GBADRP CC(C)(C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC001573774507 949011298 /nfs/dbraw/zinc/01/12/98/949011298.db2.gz SZUWHQFMVPVLOW-ZDUSSCGKSA-N 2 0 388.476 -0.163 20 0 GBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574931779 949124242 /nfs/dbraw/zinc/12/42/42/949124242.db2.gz SCKIVJMMZURGSI-CYBMUJFWSA-N 2 0 388.476 -0.041 20 0 GBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574931780 949123876 /nfs/dbraw/zinc/12/38/76/949123876.db2.gz SCKIVJMMZURGSI-ZDUSSCGKSA-N 2 0 388.476 -0.041 20 0 GBADRP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036332 951292000 /nfs/dbraw/zinc/29/20/00/951292000.db2.gz RIHGPAXKKSFNMA-GFCCVEGCSA-N 2 0 384.448 -0.328 20 0 GBADRP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036333 951291694 /nfs/dbraw/zinc/29/16/94/951291694.db2.gz RIHGPAXKKSFNMA-LBPRGKRZSA-N 2 0 384.448 -0.328 20 0 GBADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053793 951483807 /nfs/dbraw/zinc/48/38/07/951483807.db2.gz DXUILGWYQJJPTL-GFCCVEGCSA-N 2 0 384.448 -0.328 20 0 GBADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053795 951485149 /nfs/dbraw/zinc/48/51/49/951485149.db2.gz DXUILGWYQJJPTL-LBPRGKRZSA-N 2 0 384.448 -0.328 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCOCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196630 950367586 /nfs/dbraw/zinc/36/75/86/950367586.db2.gz FKKONZGTCMKXMK-AWEZNQCLSA-N 2 0 388.476 -0.088 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCOCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196633 950367445 /nfs/dbraw/zinc/36/74/45/950367445.db2.gz FKKONZGTCMKXMK-CQSZACIVSA-N 2 0 388.476 -0.088 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204683 950469520 /nfs/dbraw/zinc/46/95/20/950469520.db2.gz AFVLSCXSSSCIHD-GXTWGEPZSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204684 950467642 /nfs/dbraw/zinc/46/76/42/950467642.db2.gz AFVLSCXSSSCIHD-JSGCOSHPSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204685 950468245 /nfs/dbraw/zinc/46/82/45/950468245.db2.gz AFVLSCXSSSCIHD-OCCSQVGLSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576204686 950467063 /nfs/dbraw/zinc/46/70/63/950467063.db2.gz AFVLSCXSSSCIHD-TZMCWYRMSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205031 950493494 /nfs/dbraw/zinc/49/34/94/950493494.db2.gz FTHJLNBGTYABFZ-DOMZBBRYSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205032 950491623 /nfs/dbraw/zinc/49/16/23/950491623.db2.gz FTHJLNBGTYABFZ-IUODEOHRSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205033 950490902 /nfs/dbraw/zinc/49/09/02/950490902.db2.gz FTHJLNBGTYABFZ-SWLSCSKDSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205034 950491967 /nfs/dbraw/zinc/49/19/67/950491967.db2.gz FTHJLNBGTYABFZ-WFASDCNBSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205295 950509445 /nfs/dbraw/zinc/50/94/45/950509445.db2.gz WTIQUOCEGQQVSZ-KBPBESRZSA-N 2 0 386.460 -0.335 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205296 950508589 /nfs/dbraw/zinc/50/85/89/950508589.db2.gz WTIQUOCEGQQVSZ-KGLIPLIRSA-N 2 0 386.460 -0.335 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205297 950506619 /nfs/dbraw/zinc/50/66/19/950506619.db2.gz WTIQUOCEGQQVSZ-UONOGXRCSA-N 2 0 386.460 -0.335 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205298 950507011 /nfs/dbraw/zinc/50/70/11/950507011.db2.gz WTIQUOCEGQQVSZ-ZIAGYGMSSA-N 2 0 386.460 -0.335 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205618 950528827 /nfs/dbraw/zinc/52/88/27/950528827.db2.gz LDHWHIBLRSABMT-DOMZBBRYSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205619 950529267 /nfs/dbraw/zinc/52/92/67/950529267.db2.gz LDHWHIBLRSABMT-IUODEOHRSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205620 950527420 /nfs/dbraw/zinc/52/74/20/950527420.db2.gz LDHWHIBLRSABMT-SWLSCSKDSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205621 950528421 /nfs/dbraw/zinc/52/84/21/950528421.db2.gz LDHWHIBLRSABMT-WFASDCNBSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205943 950550512 /nfs/dbraw/zinc/55/05/12/950550512.db2.gz RNKXAXQZJHPZMO-GXTWGEPZSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205944 950546575 /nfs/dbraw/zinc/54/65/75/950546575.db2.gz RNKXAXQZJHPZMO-JSGCOSHPSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205945 950548852 /nfs/dbraw/zinc/54/88/52/950548852.db2.gz RNKXAXQZJHPZMO-OCCSQVGLSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576205946 950550318 /nfs/dbraw/zinc/55/03/18/950550318.db2.gz RNKXAXQZJHPZMO-TZMCWYRMSA-N 2 0 391.451 -0.086 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206091 950557473 /nfs/dbraw/zinc/55/74/73/950557473.db2.gz UKFDTGUIVJTXQY-NEPJUHHUSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206092 950560863 /nfs/dbraw/zinc/56/08/63/950560863.db2.gz UKFDTGUIVJTXQY-NWDGAFQWSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206093 950557625 /nfs/dbraw/zinc/55/76/25/950557625.db2.gz UKFDTGUIVJTXQY-RYUDHWBXSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206094 950560022 /nfs/dbraw/zinc/56/00/22/950560022.db2.gz UKFDTGUIVJTXQY-VXGBXAGGSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206241 950563541 /nfs/dbraw/zinc/56/35/41/950563541.db2.gz VTLDULTYNUARAG-NEPJUHHUSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206242 950565671 /nfs/dbraw/zinc/56/56/71/950565671.db2.gz VTLDULTYNUARAG-NWDGAFQWSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206243 950566887 /nfs/dbraw/zinc/56/68/87/950566887.db2.gz VTLDULTYNUARAG-RYUDHWBXSA-N 2 0 379.490 -0.163 20 0 GBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576206245 950566759 /nfs/dbraw/zinc/56/67/59/950566759.db2.gz VTLDULTYNUARAG-VXGBXAGGSA-N 2 0 379.490 -0.163 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366143 992373818 /nfs/dbraw/zinc/37/38/18/992373818.db2.gz MDDCRJOMQVHTCW-MKSNKDDYSA-N 2 0 382.505 -0.417 20 0 GBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001591366144 992374440 /nfs/dbraw/zinc/37/44/40/992374440.db2.gz MDDCRJOMQVHTCW-RCJHGTSTSA-N 2 0 382.505 -0.417 20 0 GBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001631811532 1070919819 /nfs/dbraw/zinc/91/98/19/1070919819.db2.gz QTOVUAJCHPJPHS-JTDSTZFVSA-N 2 0 397.520 -0.901 20 0 GBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)C1 ZINC001631811533 1070919995 /nfs/dbraw/zinc/91/99/95/1070919995.db2.gz QTOVUAJCHPJPHS-TXPKVOOTSA-N 2 0 397.520 -0.901 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccnn2CC[NH+](C)C)cn1 ZINC001633894545 1070993709 /nfs/dbraw/zinc/99/37/09/1070993709.db2.gz UWUCINYIMCJOLZ-UHFFFAOYSA-N 2 0 376.465 -0.429 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C[C@H]1C[NH+](C)C ZINC001635587085 1071050803 /nfs/dbraw/zinc/05/08/03/1071050803.db2.gz UTTZQMRAXAWUFW-MCIONIFRSA-N 2 0 379.465 -0.802 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C[C@H]1C[NH+](C)C ZINC001635587086 1071050530 /nfs/dbraw/zinc/05/05/30/1071050530.db2.gz UTTZQMRAXAWUFW-MGPQQGTHSA-N 2 0 379.465 -0.802 20 0 GBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918301 1071106785 /nfs/dbraw/zinc/10/67/85/1071106785.db2.gz KIXJAYCNEQOAMU-HOTGVXAUSA-N 2 0 394.520 -0.726 20 0 GBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC001636918302 1071106840 /nfs/dbraw/zinc/10/68/40/1071106840.db2.gz KIXJAYCNEQOAMU-JKSUJKDBSA-N 2 0 394.520 -0.726 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C[C@H]1C[NH+](C)C ZINC001642669795 1071306503 /nfs/dbraw/zinc/30/65/03/1071306503.db2.gz OZXFYLAPPBXDOA-HUUCEWRRSA-N 2 0 375.535 -0.222 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)C[C@H]1C[NH+](C)C ZINC001643569048 1071340997 /nfs/dbraw/zinc/34/09/97/1071340997.db2.gz LZIAIAJRDIDLEK-CHWSQXEVSA-N 2 0 376.465 -0.015 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827398 1071349636 /nfs/dbraw/zinc/34/96/36/1071349636.db2.gz KFOAKYPIBXXIQG-BMFZPTHFSA-N 2 0 390.488 -0.484 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827399 1071350047 /nfs/dbraw/zinc/35/00/47/1071350047.db2.gz KFOAKYPIBXXIQG-BPUTZDHNSA-N 2 0 390.488 -0.484 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827400 1071349881 /nfs/dbraw/zinc/34/98/81/1071349881.db2.gz KFOAKYPIBXXIQG-IMJJTQAJSA-N 2 0 390.488 -0.484 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)CC1=O ZINC001643827401 1071349735 /nfs/dbraw/zinc/34/97/35/1071349735.db2.gz KFOAKYPIBXXIQG-KBMXLJTQSA-N 2 0 390.488 -0.484 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702631 1071388813 /nfs/dbraw/zinc/38/88/13/1071388813.db2.gz KVZKHKVQLDBEAN-VSZNYVQBSA-N 2 0 378.517 -0.013 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702632 1071388869 /nfs/dbraw/zinc/38/88/69/1071388869.db2.gz KVZKHKVQLDBEAN-XLAORIBOSA-N 2 0 378.517 -0.013 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702633 1071388704 /nfs/dbraw/zinc/38/87/04/1071388704.db2.gz KVZKHKVQLDBEAN-XWTMOSNGSA-N 2 0 378.517 -0.013 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CC1=O ZINC001644702634 1071388926 /nfs/dbraw/zinc/38/89/26/1071388926.db2.gz KVZKHKVQLDBEAN-ZJPYXAASSA-N 2 0 378.517 -0.013 20 0 GBADRP NC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C(N)=O ZINC001654229731 1071573715 /nfs/dbraw/zinc/57/37/15/1071573715.db2.gz TWSKDQAIBWARLD-CALCHBBNSA-N 2 0 387.484 -0.583 20 0 GBADRP NC(=O)[C@@H]1C[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C(N)=O ZINC001654229732 1071573779 /nfs/dbraw/zinc/57/37/79/1071573779.db2.gz TWSKDQAIBWARLD-IAGOWNOFSA-N 2 0 387.484 -0.583 20 0 GBADRP NC(=O)[C@H]1C[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C(N)=O ZINC001654229733 1071573707 /nfs/dbraw/zinc/57/37/07/1071573707.db2.gz TWSKDQAIBWARLD-IRXDYDNUSA-N 2 0 387.484 -0.583 20 0 GBADRP COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001656396380 1071607338 /nfs/dbraw/zinc/60/73/38/1071607338.db2.gz WMROMUOZNKEFMR-CHWSQXEVSA-N 2 0 387.506 -0.135 20 0 GBADRP CC(=O)N1CCC(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC001658881862 1071628063 /nfs/dbraw/zinc/62/80/63/1071628063.db2.gz KJZBQXAAOMXHSQ-UHFFFAOYSA-N 2 0 381.521 -0.497 20 0 GBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H]1C[NH+](C)C ZINC001664943232 1071716191 /nfs/dbraw/zinc/71/61/91/1071716191.db2.gz BXALASUSXNCTLN-ZIAGYGMSSA-N 2 0 381.564 -0.435 20 0 GBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001668851985 1071773527 /nfs/dbraw/zinc/77/35/27/1071773527.db2.gz YZKXSXHOMYFCNN-KRWDZBQOSA-N 2 0 382.553 -0.672 20 0 GBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001668851986 1071773107 /nfs/dbraw/zinc/77/31/07/1071773107.db2.gz YZKXSXHOMYFCNN-QGZVFWFLSA-N 2 0 382.553 -0.672 20 0 GBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccnn2CC[NH+](C)C)cn1 ZINC001672406262 1071809826 /nfs/dbraw/zinc/80/98/26/1071809826.db2.gz OSYNGWGBIXLEQZ-UHFFFAOYSA-N 2 0 391.480 -0.037 20 0 GBADRP CNC(=O)c1n[nH]nc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001672832459 1071813010 /nfs/dbraw/zinc/81/30/10/1071813010.db2.gz LNHOEGORYCHCQT-UHFFFAOYSA-N 2 0 387.448 -0.107 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)C[C@H]1C[NH+](C)C ZINC001675472035 1071838297 /nfs/dbraw/zinc/83/82/97/1071838297.db2.gz ZDEPBVXWTJPSCM-VXGBXAGGSA-N 2 0 378.481 -0.100 20 0 GBADRP CS(=O)(=O)C[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001676281972 1071849392 /nfs/dbraw/zinc/84/93/92/1071849392.db2.gz DEJFHWFMVDFFCW-INIZCTEOSA-N 2 0 399.517 -0.702 20 0 GBADRP CS(=O)(=O)C[C@H](O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001676281973 1071849781 /nfs/dbraw/zinc/84/97/81/1071849781.db2.gz DEJFHWFMVDFFCW-MRXNPFEDSA-N 2 0 399.517 -0.702 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC2(C1)NC(=O)NC2=O ZINC001676282535 1071849664 /nfs/dbraw/zinc/84/96/64/1071849664.db2.gz QRJLEOXIMOETTE-UHFFFAOYSA-N 2 0 387.444 -0.803 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001677645607 1071865794 /nfs/dbraw/zinc/86/57/94/1071865794.db2.gz WSYXTBDALSYEQD-AEFFLSMTSA-N 2 0 377.489 -0.022 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001677645608 1071865567 /nfs/dbraw/zinc/86/55/67/1071865567.db2.gz WSYXTBDALSYEQD-FUHWJXTLSA-N 2 0 377.489 -0.022 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001677645609 1071865483 /nfs/dbraw/zinc/86/54/83/1071865483.db2.gz WSYXTBDALSYEQD-SJLPKXTDSA-N 2 0 377.489 -0.022 20 0 GBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](O)[C@H](CO)C1 ZINC001677645610 1071865438 /nfs/dbraw/zinc/86/54/38/1071865438.db2.gz WSYXTBDALSYEQD-WMZOPIPTSA-N 2 0 377.489 -0.022 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C[C@H]1C[NH+](C)C ZINC001679049311 1071886010 /nfs/dbraw/zinc/88/60/10/1071886010.db2.gz MYTQBOFREHLCHD-ZIAGYGMSSA-N 2 0 378.477 -0.463 20 0 GBADRP C[C@@H]1CN(CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001682202824 1071929832 /nfs/dbraw/zinc/92/98/32/1071929832.db2.gz KAOVCKNFHMHEHM-MGNMYUMUSA-N 2 0 381.521 -0.222 20 0 GBADRP C[C@H]1CN(CCO)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001682202826 1071929753 /nfs/dbraw/zinc/92/97/53/1071929753.db2.gz KAOVCKNFHMHEHM-XYTVBORESA-N 2 0 381.521 -0.222 20 0 GBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2OC)CC[N@@H+]1C ZINC001683231622 1071947919 /nfs/dbraw/zinc/94/79/19/1071947919.db2.gz XVYJHHNWJKYUKP-YLFCFFPRSA-N 2 0 384.521 -0.363 20 0 GBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCCn2cc(C(N)=O)nn2)C[C@H]1C[NH+](C)C ZINC001683286196 1071949072 /nfs/dbraw/zinc/94/90/72/1071949072.db2.gz KLPBUOSBIKVMQN-HUUCEWRRSA-N 2 0 394.524 -0.462 20 0 GBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001683840992 1071962554 /nfs/dbraw/zinc/96/25/54/1071962554.db2.gz NVDIOAOTTVYKOE-INIZCTEOSA-N 2 0 396.536 -0.382 20 0 GBADRP COC(=O)CCNC(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001684463653 1071976589 /nfs/dbraw/zinc/97/65/89/1071976589.db2.gz USVIQVTZOJESIV-HUUCEWRRSA-N 2 0 385.509 -0.563 20 0 GBADRP NS(=O)(=O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001686913803 1072051493 /nfs/dbraw/zinc/05/14/93/1072051493.db2.gz FNBQPRRITSJFSR-UHFFFAOYSA-N 2 0 384.506 -0.429 20 0 GBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001687639127 1072054790 /nfs/dbraw/zinc/05/47/90/1072054790.db2.gz WZGRMFXXFQAFJS-AWEZNQCLSA-N 2 0 390.492 -0.025 20 0 GBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001687639133 1072054568 /nfs/dbraw/zinc/05/45/68/1072054568.db2.gz WZGRMFXXFQAFJS-CQSZACIVSA-N 2 0 390.492 -0.025 20 0 GBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001689032035 1072066620 /nfs/dbraw/zinc/06/66/20/1072066620.db2.gz KLHNMMIIXFTDKO-MWDXBVQZSA-N 2 0 376.505 -0.220 20 0 GBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001689032182 1072066471 /nfs/dbraw/zinc/06/64/71/1072066471.db2.gz PLKJWFWZTOHHLI-NKGKWGDASA-N 2 0 388.516 -0.077 20 0 GBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001692028526 1072079229 /nfs/dbraw/zinc/07/92/29/1072079229.db2.gz WRMGLQPAHLKCLC-KLHDSHLOSA-N 2 0 375.535 -0.176 20 0 GBADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCOCC[NH+](C)C ZINC001693517838 1072091316 /nfs/dbraw/zinc/09/13/16/1072091316.db2.gz JCWALDHQUCOAHT-UHFFFAOYSA-N 2 0 393.536 -0.091 20 0 GBADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001693519630 1072092263 /nfs/dbraw/zinc/09/22/63/1072092263.db2.gz ZOEAVSIBLARLJY-KRWDZBQOSA-N 2 0 393.536 -0.092 20 0 GBADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCOCC[NH+](C)C ZINC001693519634 1072092337 /nfs/dbraw/zinc/09/23/37/1072092337.db2.gz ZOEAVSIBLARLJY-QGZVFWFLSA-N 2 0 393.536 -0.092 20 0 GBADRP