smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000093643910 1125469878 /nfs/dbraw/zinc/46/98/78/1125469878.db2.gz YQJCZQLHKSMIGJ-KUHUBIRLSA-N 1 3 360.933 4.057 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000093643910 1125469882 /nfs/dbraw/zinc/46/98/82/1125469882.db2.gz YQJCZQLHKSMIGJ-KUHUBIRLSA-N 1 3 360.933 4.057 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCc2c(C)noc2C)cc1CN1CCCCC1 ZINC000182892606 1125668481 /nfs/dbraw/zinc/66/84/81/1125668481.db2.gz IRZGPSPXZLNNLG-INIZCTEOSA-N 1 3 371.525 4.179 20 0 FIADHO CCC(=O)C(C)(C)C[NH+]1CCC2(CCN(Cc3ccccc3)CC2)CC1 ZINC001208920370 1080266156 /nfs/dbraw/zinc/26/61/56/1080266156.db2.gz CKUBJJXSJSFHBF-UHFFFAOYSA-N 1 3 356.554 4.370 20 0 FIADHO COc1ccc([C@H](NCC2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000180459569 1080501820 /nfs/dbraw/zinc/50/18/20/1080501820.db2.gz BVNIKHMUZOBNGJ-NRFANRHFSA-N 1 3 358.913 4.369 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccnc(Cl)c2)cc1 ZINC000160278489 1080783754 /nfs/dbraw/zinc/78/37/54/1080783754.db2.gz PEKALXNEOVAJAY-MRXNPFEDSA-N 1 3 361.917 4.306 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000236862660 1080908188 /nfs/dbraw/zinc/90/81/88/1080908188.db2.gz PKDQKYUZXJKDRC-KBXCAEBGSA-N 1 3 359.341 4.220 20 0 FIADHO Cc1n[nH]cc1CNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000120941136 1081064585 /nfs/dbraw/zinc/06/45/85/1081064585.db2.gz AHPGYHPYSRUHTD-UHFFFAOYSA-N 1 3 360.505 4.271 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704749 1081126552 /nfs/dbraw/zinc/12/65/52/1081126552.db2.gz JZYYWDVDTBKYGL-UYAOXDASSA-N 1 3 366.505 4.383 20 0 FIADHO CCSc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000547979462 1081315979 /nfs/dbraw/zinc/31/59/79/1081315979.db2.gz QYUKPSSLLQGEJC-YLJYHZDGSA-N 1 3 355.551 4.194 20 0 FIADHO CCN(CC)CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000556515653 1081620180 /nfs/dbraw/zinc/62/01/80/1081620180.db2.gz RRHVNLRYASTLRZ-LJQANCHMSA-N 1 3 372.475 4.495 20 0 FIADHO c1ccc2c(c1)CN[C@@H]2Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000656559933 1082578358 /nfs/dbraw/zinc/57/83/58/1082578358.db2.gz AWTGJWLYLULFJP-OAQYLSRUSA-N 1 3 374.488 4.110 20 0 FIADHO C[C@H](O)CN(Cc1ccccc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167472763 1082691449 /nfs/dbraw/zinc/69/14/49/1082691449.db2.gz CQFSMJQXTVXWGE-FQEVSTJZSA-N 1 3 352.522 4.056 20 0 FIADHO C[C@H](c1ccccc1F)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430923396 1083237964 /nfs/dbraw/zinc/23/79/64/1083237964.db2.gz DKQZXKQFIUWPSC-GOSISDBHSA-N 1 3 361.549 4.015 20 0 FIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510733606 1083282612 /nfs/dbraw/zinc/28/26/12/1083282612.db2.gz LWRIISGVVLUGAF-SFHVURJKSA-N 1 3 351.332 4.146 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000510980638 1083557065 /nfs/dbraw/zinc/55/70/65/1083557065.db2.gz YMVBCEVJQZTXKJ-NBCNXNJRSA-N 1 3 368.496 4.322 20 0 FIADHO C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181345871 1083878408 /nfs/dbraw/zinc/87/84/08/1083878408.db2.gz PYIXNXQDQKGJMU-QGZVFWFLSA-N 1 3 371.525 4.050 20 0 FIADHO COCc1csc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000657310866 1084407633 /nfs/dbraw/zinc/40/76/33/1084407633.db2.gz QLTRATKLFJINSA-QGZVFWFLSA-N 1 3 358.551 4.416 20 0 FIADHO COCc1csc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000657310866 1084407637 /nfs/dbraw/zinc/40/76/37/1084407637.db2.gz QLTRATKLFJINSA-QGZVFWFLSA-N 1 3 358.551 4.416 20 0 FIADHO CCC1(CN[C@@H](C)c2cc3n(n2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000414090833 1084519448 /nfs/dbraw/zinc/51/94/48/1084519448.db2.gz CUMDQNPCYJUDDJ-IBGZPJMESA-N 1 3 366.553 4.172 20 0 FIADHO CC(C)Sc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000511142775 1085078833 /nfs/dbraw/zinc/07/88/33/1085078833.db2.gz GFEBIDDVTWAEKY-UHFFFAOYSA-N 1 3 362.583 4.264 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]Cc2csc(Cl)c2Cl)C[C@H](C)O1 ZINC000432229641 1085687303 /nfs/dbraw/zinc/68/73/03/1085687303.db2.gz SPHSWGFJXDZCSO-RYUDHWBXSA-N 1 3 351.343 4.034 20 0 FIADHO FC(F)(F)C1CCC(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000657612590 1085689939 /nfs/dbraw/zinc/68/99/39/1085689939.db2.gz AQYSTUYAWVULKH-UHFFFAOYSA-N 1 3 369.475 4.252 20 0 FIADHO CCc1cc(N(c2cc(OC)cc3cccnc32)[C@H](C)CCC[NH3+])ccn1 ZINC001167615174 1085713519 /nfs/dbraw/zinc/71/35/19/1085713519.db2.gz RGPMRCCMYHKKMU-MRXNPFEDSA-N 1 3 364.493 4.466 20 0 FIADHO C[C@H](COc1c(F)cccc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000657628175 1085722275 /nfs/dbraw/zinc/72/22/75/1085722275.db2.gz FLVQYLDKGPKJOI-QGZVFWFLSA-N 1 3 374.475 4.029 20 0 FIADHO COc1ccc([C@@H](N[C@@H](C)C2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000090772241 1085882743 /nfs/dbraw/zinc/88/27/43/1085882743.db2.gz HERVJGPRHBBXKN-GAJHUEQPSA-N 1 3 368.521 4.113 20 0 FIADHO CN(CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646580 1086010073 /nfs/dbraw/zinc/01/00/73/1086010073.db2.gz FKJDLBKNWSNSFQ-UPVQGACJSA-N 1 3 363.549 4.109 20 0 FIADHO CN(CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646580 1086010078 /nfs/dbraw/zinc/01/00/78/1086010078.db2.gz FKJDLBKNWSNSFQ-UPVQGACJSA-N 1 3 363.549 4.109 20 0 FIADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000247979673 1086160339 /nfs/dbraw/zinc/16/03/39/1086160339.db2.gz MDSRSTPIVDHGHP-WAOWUJCRSA-N 1 3 368.521 4.093 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cnc2ccsc2c1 ZINC000162518162 1086236988 /nfs/dbraw/zinc/23/69/88/1086236988.db2.gz ILDVXCOMQRMXKJ-HNNXBMFYSA-N 1 3 355.507 4.088 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cnc2ccsc2c1 ZINC000162580523 1086311700 /nfs/dbraw/zinc/31/17/00/1086311700.db2.gz ZMOMFAQXWNRINZ-HNNXBMFYSA-N 1 3 355.507 4.088 20 0 FIADHO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297821 1086400875 /nfs/dbraw/zinc/40/08/75/1086400875.db2.gz SGXWCTUGXKNSKY-UYAOXDASSA-N 1 3 371.569 4.157 20 0 FIADHO FC(F)c1cccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327359 1086418354 /nfs/dbraw/zinc/41/83/54/1086418354.db2.gz OKNSVJOAFFIFJE-UHFFFAOYSA-N 1 3 374.479 4.194 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441523 1086544588 /nfs/dbraw/zinc/54/45/88/1086544588.db2.gz UWIPZSCVWUMYBS-INWMFGNUSA-N 1 3 369.372 4.448 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441523 1086544591 /nfs/dbraw/zinc/54/45/91/1086544591.db2.gz UWIPZSCVWUMYBS-INWMFGNUSA-N 1 3 369.372 4.448 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125880494 1086555004 /nfs/dbraw/zinc/55/50/04/1086555004.db2.gz NIPAOQCMGFDQKZ-RDJZCZTQSA-N 1 3 358.555 4.285 20 0 FIADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000150979627 1086663338 /nfs/dbraw/zinc/66/33/38/1086663338.db2.gz KXNVVISUWFNVBR-HNNXBMFYSA-N 1 3 373.522 4.003 20 0 FIADHO COc1cccc(OC)c1CNCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512044825 1086699982 /nfs/dbraw/zinc/69/99/82/1086699982.db2.gz ICOXYVGPPOBXJR-ICSRJNTNSA-N 1 3 368.521 4.094 20 0 FIADHO COc1cccc(OC)c1CNCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044825 1086699992 /nfs/dbraw/zinc/69/99/92/1086699992.db2.gz ICOXYVGPPOBXJR-ICSRJNTNSA-N 1 3 368.521 4.094 20 0 FIADHO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000432425780 1086753262 /nfs/dbraw/zinc/75/32/62/1086753262.db2.gz NPYAXAZCRNXDNI-BUNPMSMLSA-N 1 3 370.581 4.470 20 0 FIADHO [NH3+]CC1(CCN[C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000650745974 1086931579 /nfs/dbraw/zinc/93/15/79/1086931579.db2.gz SMWPWAXWSYAPPE-GOSISDBHSA-N 1 3 359.311 4.257 20 0 FIADHO COc1ccc(-c2nc(CNCC3CC[NH+](CC4CC4)CC3)cs2)cc1 ZINC000657811799 1087078399 /nfs/dbraw/zinc/07/83/99/1087078399.db2.gz GUCDDYWAQVLSGX-UHFFFAOYSA-N 1 3 371.550 4.030 20 0 FIADHO CC(C)CN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000081046756 1087292945 /nfs/dbraw/zinc/29/29/45/1087292945.db2.gz NSLWLIPDMLOPFM-UHFFFAOYSA-N 1 3 366.509 4.018 20 0 FIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C(F)F)nc1 ZINC000657869180 1087470997 /nfs/dbraw/zinc/47/09/97/1087470997.db2.gz ZHURQIHOEIGVTB-OAHLLOKOSA-N 1 3 363.452 4.201 20 0 FIADHO COC[C@H](CC1CCOCC1)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000657886018 1087535089 /nfs/dbraw/zinc/53/50/89/1087535089.db2.gz CFTOOSFGWPKVKB-UGKGYDQZSA-N 1 3 374.569 4.071 20 0 FIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139910 1087743287 /nfs/dbraw/zinc/74/32/87/1087743287.db2.gz NZXVBPPOEODDBD-YLJYHZDGSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139910 1087743298 /nfs/dbraw/zinc/74/32/98/1087743298.db2.gz NZXVBPPOEODDBD-YLJYHZDGSA-N 1 3 364.489 4.159 20 0 FIADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658161762 1087753751 /nfs/dbraw/zinc/75/37/51/1087753751.db2.gz AKEMXKILQKCKRQ-QHCPKHFHSA-N 1 3 374.532 4.442 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc2c(s1)CCC2 ZINC000658166265 1087762769 /nfs/dbraw/zinc/76/27/69/1087762769.db2.gz NLUVNLILHAAEAZ-MRXNPFEDSA-N 1 3 355.551 4.195 20 0 FIADHO CCCN1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189437 1087778663 /nfs/dbraw/zinc/77/86/63/1087778663.db2.gz SVRPMTTZALDGQQ-QGZVFWFLSA-N 1 3 369.372 4.201 20 0 FIADHO CC(C)n1cncc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000424137941 1087787320 /nfs/dbraw/zinc/78/73/20/1087787320.db2.gz CPDKMZVDQQVILG-UHFFFAOYSA-N 1 3 360.933 4.119 20 0 FIADHO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000423233541 1088076882 /nfs/dbraw/zinc/07/68/82/1088076882.db2.gz DQCXVFRYTRLTEQ-ZRBLBEILSA-N 1 3 351.538 4.235 20 0 FIADHO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000423233540 1088077727 /nfs/dbraw/zinc/07/77/27/1088077727.db2.gz DQCXVFRYTRLTEQ-ZLNRFVROSA-N 1 3 351.538 4.235 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000163558368 1088213003 /nfs/dbraw/zinc/21/30/03/1088213003.db2.gz INUUZNMBMPZSOD-GKVSMKOHSA-N 1 3 358.551 4.117 20 0 FIADHO COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311196761 1088345670 /nfs/dbraw/zinc/34/56/70/1088345670.db2.gz ILTIAQJWAOZQQP-GOSISDBHSA-N 1 3 358.913 4.350 20 0 FIADHO CCOCOc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000782969811 1088771790 /nfs/dbraw/zinc/77/17/90/1088771790.db2.gz XNPOGKFTAGYDJF-KNQAVFIVSA-N 1 3 368.521 4.060 20 0 FIADHO [NH3+]CCC[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000415045417 1089089050 /nfs/dbraw/zinc/08/90/50/1089089050.db2.gz BQKNPSPYJNWBTO-HXUWFJFHSA-N 1 3 354.885 4.096 20 0 FIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415093550 1089158114 /nfs/dbraw/zinc/15/81/14/1089158114.db2.gz VQZAIBHIQZDOMP-ZEWNOJEFSA-N 1 3 358.913 4.499 20 0 FIADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c(Cl)c1 ZINC000414862624 1089197160 /nfs/dbraw/zinc/19/71/60/1089197160.db2.gz VRFCEFDXYCIYGY-OAHLLOKOSA-N 1 3 351.922 4.007 20 0 FIADHO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000549236936 1089310628 /nfs/dbraw/zinc/31/06/28/1089310628.db2.gz IQBLJMBOHYODJC-NFVALVNTSA-N 1 3 356.554 4.080 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Cl)c(Br)c1)C2 ZINC000515017432 1089721823 /nfs/dbraw/zinc/72/18/23/1089721823.db2.gz AMRMOEAAMVIPRV-PBWFPOADSA-N 1 3 357.723 4.160 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Cl)c(Br)c1)C2 ZINC000515017432 1089721830 /nfs/dbraw/zinc/72/18/30/1089721830.db2.gz AMRMOEAAMVIPRV-PBWFPOADSA-N 1 3 357.723 4.160 20 0 FIADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180611168 1090222866 /nfs/dbraw/zinc/22/28/66/1090222866.db2.gz DTOQKQRNWIXJRQ-HRAATJIYSA-N 1 3 369.484 4.213 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000511595882 1090611315 /nfs/dbraw/zinc/61/13/15/1090611315.db2.gz TYNIMWVAKYWLMO-BGYRXZFFSA-N 1 3 366.549 4.204 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366473 1090626903 /nfs/dbraw/zinc/62/69/03/1090626903.db2.gz AJEKEVHFDFVFEF-CTNGQTDRSA-N 1 3 360.505 4.045 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000236864526 1090995987 /nfs/dbraw/zinc/99/59/87/1090995987.db2.gz ZNNKSJYPMXSBQL-KSSFIOAISA-N 1 3 359.341 4.220 20 0 FIADHO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500129807 1091056092 /nfs/dbraw/zinc/05/60/92/1091056092.db2.gz BRZIEETXJVXOFS-NRFANRHFSA-N 1 3 365.993 4.385 20 0 FIADHO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500129807 1091056095 /nfs/dbraw/zinc/05/60/95/1091056095.db2.gz BRZIEETXJVXOFS-NRFANRHFSA-N 1 3 365.993 4.385 20 0 FIADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390525828 1091182449 /nfs/dbraw/zinc/18/24/49/1091182449.db2.gz IYXDJGQIIOCBCY-XUZZJYLKSA-N 1 3 365.565 4.009 20 0 FIADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556036 1091248299 /nfs/dbraw/zinc/24/82/99/1091248299.db2.gz LJVHSRNKZAARIU-JOCHJYFZSA-N 1 3 365.521 4.035 20 0 FIADHO CC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556036 1091248310 /nfs/dbraw/zinc/24/83/10/1091248310.db2.gz LJVHSRNKZAARIU-JOCHJYFZSA-N 1 3 365.521 4.035 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000665271633 1092421280 /nfs/dbraw/zinc/42/12/80/1092421280.db2.gz PMMPUFPVFVSJGG-CDIGIKMISA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000665271633 1092421286 /nfs/dbraw/zinc/42/12/86/1092421286.db2.gz PMMPUFPVFVSJGG-CDIGIKMISA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000665271633 1092421294 /nfs/dbraw/zinc/42/12/94/1092421294.db2.gz PMMPUFPVFVSJGG-CDIGIKMISA-N 1 3 361.533 4.146 20 0 FIADHO Cc1ccc(C)c([C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc2)c1 ZINC000442893251 1092845907 /nfs/dbraw/zinc/84/59/07/1092845907.db2.gz XFKNQCCJJRLDLJ-HSZRJFAPSA-N 1 3 365.565 4.008 20 0 FIADHO CN(Cc1nc2ccc(F)cc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000432919356 1092951305 /nfs/dbraw/zinc/95/13/05/1092951305.db2.gz UDHVHRYSDZEHAU-UHFFFAOYSA-N 1 3 370.497 4.179 20 0 FIADHO Cc1ccccc1[C@@H]([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000443193775 1092983849 /nfs/dbraw/zinc/98/38/49/1092983849.db2.gz NDLLPFLYWGUUIX-WMZHIEFXSA-N 1 3 357.586 4.373 20 0 FIADHO COC1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000512648504 1093069485 /nfs/dbraw/zinc/06/94/85/1093069485.db2.gz NQPZAFHXJZZFDZ-KICKQETISA-N 1 3 356.554 4.082 20 0 FIADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512660445 1093096652 /nfs/dbraw/zinc/09/66/52/1093096652.db2.gz NGNBYEBUKUSXJH-FDFHNCONSA-N 1 3 358.570 4.066 20 0 FIADHO Cc1nc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)sc1C ZINC000512666369 1093105737 /nfs/dbraw/zinc/10/57/37/1093105737.db2.gz KFBQXQHTJHVQMR-PCCBWWKXSA-N 1 3 369.578 4.193 20 0 FIADHO C[C@@H]1CC(N[C@H]2CC(C)(C)N(O)C2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018833 1093173392 /nfs/dbraw/zinc/17/33/92/1093173392.db2.gz FLPXBCVMHYSHSA-HLIPFELVSA-N 1 3 359.558 4.038 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@@H](C)N1Cc1ccccc1 ZINC001168020323 1093205277 /nfs/dbraw/zinc/20/52/77/1093205277.db2.gz LZCCJLLJARFPMN-SEPYTNNBSA-N 1 3 350.506 4.411 20 0 FIADHO CC(=O)c1ccc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168020474 1093212714 /nfs/dbraw/zinc/21/27/14/1093212714.db2.gz NCNSYFZXGOZKAS-ROUUACIJSA-N 1 3 350.506 4.420 20 0 FIADHO C[C@@H]1C[C@@H](NCC2(c3ccc(F)cn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032150 1093655624 /nfs/dbraw/zinc/65/56/24/1093655624.db2.gz FOUIWGDMTPTRGO-RMFSNUHRSA-N 1 3 367.512 4.284 20 0 FIADHO C[C@@H]1C[C@@H](NCC2(c3ccc(F)cn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032150 1093655626 /nfs/dbraw/zinc/65/56/26/1093655626.db2.gz FOUIWGDMTPTRGO-RMFSNUHRSA-N 1 3 367.512 4.284 20 0 FIADHO C[C@@H]1CC(NCc2cccc3c2cnn3C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168031838 1093656375 /nfs/dbraw/zinc/65/63/75/1093656375.db2.gz CPOCSKFDUXWLLJ-QZTJIDSGSA-N 1 3 362.521 4.105 20 0 FIADHO COCCC[NH+]1CCC(N[C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191712556 1093748121 /nfs/dbraw/zinc/74/81/21/1093748121.db2.gz BFJWEYYWWOOSRC-QHCPKHFHSA-N 1 3 370.512 4.200 20 0 FIADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474427913 1093779943 /nfs/dbraw/zinc/77/99/43/1093779943.db2.gz SFNXEXGDUZYHGF-INIZCTEOSA-N 1 3 356.341 4.036 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(OCc3ccccc3)c1)C2 ZINC000513159691 1093936392 /nfs/dbraw/zinc/93/63/92/1093936392.db2.gz MHSOBNNWFPJIKU-CBQGHPETSA-N 1 3 350.506 4.323 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(OCc3ccccc3)c1)C2 ZINC000513159691 1093936396 /nfs/dbraw/zinc/93/63/96/1093936396.db2.gz MHSOBNNWFPJIKU-CBQGHPETSA-N 1 3 350.506 4.323 20 0 FIADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000513665930 1094263196 /nfs/dbraw/zinc/26/31/96/1094263196.db2.gz INMHQSFRKJARLE-UHFFFAOYSA-N 1 3 374.532 4.405 20 0 FIADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000513665930 1094263203 /nfs/dbraw/zinc/26/32/03/1094263203.db2.gz INMHQSFRKJARLE-UHFFFAOYSA-N 1 3 374.532 4.405 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000501006101 1094416094 /nfs/dbraw/zinc/41/60/94/1094416094.db2.gz FNSRVNHXVHHVRK-HSZRJFAPSA-N 1 3 357.586 4.314 20 0 FIADHO CN(Cc1ncc(-c2ccccc2)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501070296 1094482954 /nfs/dbraw/zinc/48/29/54/1094482954.db2.gz SLVZWMOXLMHTKX-UHFFFAOYSA-N 1 3 362.477 4.085 20 0 FIADHO CCOC(=O)C[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039984 1094483410 /nfs/dbraw/zinc/48/34/10/1094483410.db2.gz JJSUWNLTJYZJFD-MXNKGDRCSA-N 1 3 372.553 4.093 20 0 FIADHO CCOC(=O)C[C@@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039984 1094483419 /nfs/dbraw/zinc/48/34/19/1094483419.db2.gz JJSUWNLTJYZJFD-MXNKGDRCSA-N 1 3 372.553 4.093 20 0 FIADHO CCC1(Cc2ccccc2)CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000501870219 1094981488 /nfs/dbraw/zinc/98/14/88/1094981488.db2.gz MJGHUVVCYPJWNR-UHFFFAOYSA-N 1 3 371.613 4.137 20 0 FIADHO Cc1cc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)oc1C ZINC000502369955 1095420753 /nfs/dbraw/zinc/42/07/53/1095420753.db2.gz ZDNSXKLBDUGMQW-IBGZPJMESA-N 1 3 355.526 4.149 20 0 FIADHO C[C@@H]1CC(N2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051052 1095770752 /nfs/dbraw/zinc/77/07/52/1095770752.db2.gz FRJBCFMRNTWGPJ-GGPKGHCWSA-N 1 3 372.553 4.092 20 0 FIADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001279144952 1095886081 /nfs/dbraw/zinc/88/60/81/1095886081.db2.gz RPOCHHJUMJZLQL-UHFFFAOYSA-N 1 3 359.514 4.079 20 0 FIADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001279144952 1095886103 /nfs/dbraw/zinc/88/61/03/1095886103.db2.gz RPOCHHJUMJZLQL-UHFFFAOYSA-N 1 3 359.514 4.079 20 0 FIADHO C[C@H](NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1Cl ZINC000421822766 1095935836 /nfs/dbraw/zinc/93/58/36/1095935836.db2.gz BHZVHKIHPZNHDT-ZACQAIPSSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccncc1Cl ZINC000421818872 1095952398 /nfs/dbraw/zinc/95/23/98/1095952398.db2.gz CXOZRMOZFBMPFL-BRWVUGGUSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccncc1Cl ZINC000421818872 1095952403 /nfs/dbraw/zinc/95/24/03/1095952403.db2.gz CXOZRMOZFBMPFL-BRWVUGGUSA-N 1 3 373.928 4.195 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(COc2ccccc2)c1 ZINC000422730559 1096464356 /nfs/dbraw/zinc/46/43/56/1096464356.db2.gz KABKFCJFLZZLSU-QGZVFWFLSA-N 1 3 361.489 4.279 20 0 FIADHO COc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC1CCCC1 ZINC000422719557 1096470254 /nfs/dbraw/zinc/47/02/54/1096470254.db2.gz YSCIZDAEQISROZ-OAHLLOKOSA-N 1 3 369.509 4.030 20 0 FIADHO c1sc2ccccc2c1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422751880 1096483015 /nfs/dbraw/zinc/48/30/15/1096483015.db2.gz DDNCJEOPQLJYFI-RXVVDRJESA-N 1 3 350.487 4.247 20 0 FIADHO [NH3+][C@H]1C[C@@H](NCC2(c3cccc(Cl)c3)CCOCC2)c2ccccc21 ZINC000422768365 1096485105 /nfs/dbraw/zinc/48/51/05/1096485105.db2.gz SYAPFYCKQAVCJG-VQTJNVASSA-N 1 3 356.897 4.123 20 0 FIADHO COc1ccc2cc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422799494 1096493419 /nfs/dbraw/zinc/49/34/19/1096493419.db2.gz XAGDRFOHBXONAE-UPVQGACJSA-N 1 3 374.484 4.194 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422834591 1096502004 /nfs/dbraw/zinc/50/20/04/1096502004.db2.gz HXAHSAJEBVZWBY-INIZCTEOSA-N 1 3 373.500 4.301 20 0 FIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837272 1096502550 /nfs/dbraw/zinc/50/25/50/1096502550.db2.gz LTHQNIJTJFIRCT-ICYYRSKXSA-N 1 3 366.480 4.295 20 0 FIADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881144 1096511276 /nfs/dbraw/zinc/51/12/76/1096511276.db2.gz POJKZXPVDHWTJK-KDOFPFPSSA-N 1 3 371.352 4.149 20 0 FIADHO Cc1sc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422925647 1096526181 /nfs/dbraw/zinc/52/61/81/1096526181.db2.gz BWXIMSLTHBKBPX-QRVBRYPASA-N 1 3 355.551 4.171 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422925094 1096526357 /nfs/dbraw/zinc/52/63/57/1096526357.db2.gz VBVHYYSJBCSRJU-DLBZAZTESA-N 1 3 352.526 4.396 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422925094 1096526363 /nfs/dbraw/zinc/52/63/63/1096526363.db2.gz VBVHYYSJBCSRJU-DLBZAZTESA-N 1 3 352.526 4.396 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422927346 1096527224 /nfs/dbraw/zinc/52/72/24/1096527224.db2.gz GFWUUDSXZLFIMN-RYUDHWBXSA-N 1 3 353.388 4.159 20 0 FIADHO c1ccc2c(c1)cccc2OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422933988 1096529291 /nfs/dbraw/zinc/52/92/91/1096529291.db2.gz BWKKJCWPGBZTIE-XUZZJYLKSA-N 1 3 374.484 4.064 20 0 FIADHO CCCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422934567 1096529661 /nfs/dbraw/zinc/52/96/61/1096529661.db2.gz CPBASQXEYVOMFR-HZPDHXFCSA-N 1 3 371.525 4.448 20 0 FIADHO COc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)cc1OC ZINC000422917717 1096532209 /nfs/dbraw/zinc/53/22/09/1096532209.db2.gz GQIFXPQOXWQMDR-VBKZILBWSA-N 1 3 362.901 4.164 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC1(c2ccc(Br)cc2)CCC1 ZINC000422947565 1096536535 /nfs/dbraw/zinc/53/65/35/1096536535.db2.gz YLAUOXYYWNGXHY-CQSZACIVSA-N 1 3 374.326 4.341 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000422954628 1096539367 /nfs/dbraw/zinc/53/93/67/1096539367.db2.gz JKKFPFJPNGILLM-PIGZYNQJSA-N 1 3 350.293 4.494 20 0 FIADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423026805 1096553964 /nfs/dbraw/zinc/55/39/64/1096553964.db2.gz CACNADUFVBHXFL-RTBURBONSA-N 1 3 370.368 4.207 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000423060132 1096560663 /nfs/dbraw/zinc/56/06/63/1096560663.db2.gz NSJNHAGBFXFHPB-KOLCDFICSA-N 1 3 354.317 4.085 20 0 FIADHO FC(F)(F)[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122105 1096578751 /nfs/dbraw/zinc/57/87/51/1096578751.db2.gz KESWBENDVBKENL-ZCNNSNEGSA-N 1 3 362.439 4.491 20 0 FIADHO CC(F)(F)c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423125798 1096580217 /nfs/dbraw/zinc/58/02/17/1096580217.db2.gz AHMZEZJELVKRQY-NQIIRXRSSA-N 1 3 358.432 4.144 20 0 FIADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423104017 1096582428 /nfs/dbraw/zinc/58/24/28/1096582428.db2.gz PMUDPNVXMUEXIA-GVDBMIGSSA-N 1 3 364.942 4.110 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423139896 1096595063 /nfs/dbraw/zinc/59/50/63/1096595063.db2.gz WUECVEIMAVVRAA-FZKQIMNGSA-N 1 3 351.416 4.236 20 0 FIADHO Fc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423334623 1096649925 /nfs/dbraw/zinc/64/99/25/1096649925.db2.gz FTPTTYNTNLUDNX-IBGZPJMESA-N 1 3 364.386 4.443 20 0 FIADHO c1ccc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc3ccccc3n2)cc1 ZINC000423430728 1096683012 /nfs/dbraw/zinc/68/30/12/1096683012.db2.gz IGUABCYQSVQLDT-TUACAJSNSA-N 1 3 357.501 4.302 20 0 FIADHO COc1ccc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423506807 1096701926 /nfs/dbraw/zinc/70/19/26/1096701926.db2.gz MILDHHBXNBGRDZ-PXARDIRTSA-N 1 3 374.912 4.164 20 0 FIADHO COc1ccc([C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423506806 1096702269 /nfs/dbraw/zinc/70/22/69/1096702269.db2.gz MILDHHBXNBGRDZ-NVAPDCRFSA-N 1 3 374.912 4.164 20 0 FIADHO COc1ccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2Cl)cc1 ZINC000423549431 1096719160 /nfs/dbraw/zinc/71/91/60/1096719160.db2.gz RXKFNSYBXLVBNA-AYMMHLMVSA-N 1 3 370.924 4.416 20 0 FIADHO COc1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2Cl)cc1 ZINC000423549434 1096719266 /nfs/dbraw/zinc/71/92/66/1096719266.db2.gz RXKFNSYBXLVBNA-IDVKNYFZSA-N 1 3 370.924 4.416 20 0 FIADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167960165 1098695799 /nfs/dbraw/zinc/69/57/99/1098695799.db2.gz WPBGIRBTKCZMKA-YQQQUEKLSA-N 1 3 352.444 4.243 20 0 FIADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960165 1098695803 /nfs/dbraw/zinc/69/58/03/1098695803.db2.gz WPBGIRBTKCZMKA-YQQQUEKLSA-N 1 3 352.444 4.243 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436274052 1098901746 /nfs/dbraw/zinc/90/17/46/1098901746.db2.gz WUMMIKSVERZXBQ-UHFFFAOYSA-N 1 3 354.523 4.270 20 0 FIADHO C[C@@H]1C[C@@H](NCc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288033 1098903637 /nfs/dbraw/zinc/90/36/37/1098903637.db2.gz DNISEZHZTMEHJA-UZLBHIALSA-N 1 3 366.534 4.281 20 0 FIADHO C[C@@H]1C[C@@H](NCc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288033 1098903640 /nfs/dbraw/zinc/90/36/40/1098903640.db2.gz DNISEZHZTMEHJA-UZLBHIALSA-N 1 3 366.534 4.281 20 0 FIADHO COc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000162265541 1099670626 /nfs/dbraw/zinc/67/06/26/1099670626.db2.gz OUTSXDCCGQOMGR-HZPDHXFCSA-N 1 3 360.473 4.187 20 0 FIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000162279158 1099673814 /nfs/dbraw/zinc/67/38/14/1099673814.db2.gz AVYZYVGBGHQCQE-IBGZPJMESA-N 1 3 353.510 4.187 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000162498620 1099810530 /nfs/dbraw/zinc/81/05/30/1099810530.db2.gz CXVUWZXMBKUAPO-HXUWFJFHSA-N 1 3 374.912 4.284 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702682 1099857980 /nfs/dbraw/zinc/85/79/80/1099857980.db2.gz WHKNJEUQZNNMDK-GHTZIAJQSA-N 1 3 367.537 4.259 20 0 FIADHO C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508714130 1099883393 /nfs/dbraw/zinc/88/33/93/1099883393.db2.gz URYPLNOZYSXPLR-WIYYLYMNSA-N 1 3 365.521 4.013 20 0 FIADHO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508713932 1099886047 /nfs/dbraw/zinc/88/60/47/1099886047.db2.gz AQHMRHPIGYHDDE-PXNSSMCTSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000162574660 1099903803 /nfs/dbraw/zinc/90/38/03/1099903803.db2.gz DGNGLYVIGALFOF-OAHLLOKOSA-N 1 3 366.427 4.497 20 0 FIADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000437489247 1099952333 /nfs/dbraw/zinc/95/23/33/1099952333.db2.gz ZAJMXQZISZICCC-NRFANRHFSA-N 1 3 373.585 4.012 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000536664486 1100136246 /nfs/dbraw/zinc/13/62/46/1100136246.db2.gz FJIIBEWNFLEUIP-HXUWFJFHSA-N 1 3 370.585 4.158 20 0 FIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000536664486 1100136257 /nfs/dbraw/zinc/13/62/57/1100136257.db2.gz FJIIBEWNFLEUIP-HXUWFJFHSA-N 1 3 370.585 4.158 20 0 FIADHO C[C@H]1C[C@H]1c1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665610 1100138659 /nfs/dbraw/zinc/13/86/59/1100138659.db2.gz UBTGQVCAOVYEQB-PGRDOPGGSA-N 1 3 373.585 4.031 20 0 FIADHO C[C@@H]1C[C@H]1c1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665611 1100139625 /nfs/dbraw/zinc/13/96/25/1100139625.db2.gz UBTGQVCAOVYEQB-XMSQKQJNSA-N 1 3 373.585 4.031 20 0 FIADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000536709223 1100228231 /nfs/dbraw/zinc/22/82/31/1100228231.db2.gz LHERRZAHOXAVQW-UHFFFAOYSA-N 1 3 356.510 4.269 20 0 FIADHO Fc1cc(Br)cc([C@@H](NC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000459507649 1100262273 /nfs/dbraw/zinc/26/22/73/1100262273.db2.gz WIQQNPZPHQIQSF-SFHVURJKSA-N 1 3 367.306 4.256 20 0 FIADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834948 1100346346 /nfs/dbraw/zinc/34/63/46/1100346346.db2.gz YUAWAHMAUFSGAA-QUCCMNQESA-N 1 3 354.542 4.199 20 0 FIADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834948 1100346357 /nfs/dbraw/zinc/34/63/57/1100346357.db2.gz YUAWAHMAUFSGAA-QUCCMNQESA-N 1 3 354.542 4.199 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000536857656 1100372722 /nfs/dbraw/zinc/37/27/22/1100372722.db2.gz LSVBYFLMPRIDOD-XHSDSOJGSA-N 1 3 358.448 4.245 20 0 FIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000439143899 1101199544 /nfs/dbraw/zinc/19/95/44/1101199544.db2.gz TUZHBTKWYDFZNP-XJKCOSOUSA-N 1 3 357.361 4.424 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Cl)nc1 ZINC000760161473 1101478548 /nfs/dbraw/zinc/47/85/48/1101478548.db2.gz WWMIXLXEJGCCHC-MRXNPFEDSA-N 1 3 359.901 4.060 20 0 FIADHO [NH3+][C@H]1CCC[C@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414999515 1101483800 /nfs/dbraw/zinc/48/38/00/1101483800.db2.gz JEIVHIOUXMTUSS-WFASDCNBSA-N 1 3 369.456 4.436 20 0 FIADHO COc1cccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC(C)C ZINC000518763514 1101519163 /nfs/dbraw/zinc/51/91/63/1101519163.db2.gz RTFMRJUAGMCLAY-KDURUIRLSA-N 1 3 362.558 4.330 20 0 FIADHO COc1cccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC(C)C ZINC000518763514 1101519173 /nfs/dbraw/zinc/51/91/73/1101519173.db2.gz RTFMRJUAGMCLAY-KDURUIRLSA-N 1 3 362.558 4.330 20 0 FIADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001168168177 1101819838 /nfs/dbraw/zinc/81/98/38/1101819838.db2.gz PMWWVLORDRMGOK-INIZCTEOSA-N 1 3 360.904 4.446 20 0 FIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C4CC4)c(C)c3)CC2)CC1 ZINC000519422577 1102187561 /nfs/dbraw/zinc/18/75/61/1102187561.db2.gz ZISLMMHUWKTPHC-UHFFFAOYSA-N 1 3 369.553 4.007 20 0 FIADHO CCOc1cccc([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000120573420 1102234929 /nfs/dbraw/zinc/23/49/29/1102234929.db2.gz IYTBKQAWUOAPFJ-QZTJIDSGSA-N 1 3 356.510 4.438 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000532461756 1102370406 /nfs/dbraw/zinc/37/04/06/1102370406.db2.gz ZUXKANFVLSBJRJ-KRWDZBQOSA-N 1 3 357.542 4.134 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000532461760 1102370972 /nfs/dbraw/zinc/37/09/72/1102370972.db2.gz ZUXKANFVLSBJRJ-QGZVFWFLSA-N 1 3 357.542 4.134 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(CO)c1 ZINC000121535163 1102410155 /nfs/dbraw/zinc/41/01/55/1102410155.db2.gz QCOOCFLAIPVRCV-IBGZPJMESA-N 1 3 352.522 4.406 20 0 FIADHO C[C@@H]1C[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782519 1102563179 /nfs/dbraw/zinc/56/31/79/1102563179.db2.gz STNWOJGYJQFMSN-HYBUGGRVSA-N 1 3 374.532 4.357 20 0 FIADHO C[C@@H]1C[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782519 1102563185 /nfs/dbraw/zinc/56/31/85/1102563185.db2.gz STNWOJGYJQFMSN-HYBUGGRVSA-N 1 3 374.532 4.357 20 0 FIADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000122409478 1102574549 /nfs/dbraw/zinc/57/45/49/1102574549.db2.gz BWIUMEVWPXMYLL-AVRDEDQJSA-N 1 3 372.553 4.114 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000506850928 1102647127 /nfs/dbraw/zinc/64/71/27/1102647127.db2.gz JNUZBVMAMITYSZ-UHFFFAOYSA-N 1 3 367.537 4.214 20 0 FIADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000550882056 1102653275 /nfs/dbraw/zinc/65/32/75/1102653275.db2.gz HPYKZMUOLWBWHY-VAPSRWTKSA-N 1 3 370.581 4.330 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887729 1102658272 /nfs/dbraw/zinc/65/82/72/1102658272.db2.gz ZFQBEMGUCRXEAO-QUCCMNQESA-N 1 3 370.562 4.328 20 0 FIADHO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887729 1102658274 /nfs/dbraw/zinc/65/82/74/1102658274.db2.gz ZFQBEMGUCRXEAO-QUCCMNQESA-N 1 3 370.562 4.328 20 0 FIADHO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887729 1102658276 /nfs/dbraw/zinc/65/82/76/1102658276.db2.gz ZFQBEMGUCRXEAO-QUCCMNQESA-N 1 3 370.562 4.328 20 0 FIADHO Clc1ccc(Cl)c(-c2csc(CN[C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000666953505 1102747487 /nfs/dbraw/zinc/74/74/87/1102747487.db2.gz ADWMFCMMZIGKCN-HNNXBMFYSA-N 1 3 368.333 4.349 20 0 FIADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550269992 1102894258 /nfs/dbraw/zinc/89/42/58/1102894258.db2.gz DSIXPJMPYNOAPN-YMPZKCBVSA-N 1 3 370.581 4.331 20 0 FIADHO CCC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550270762 1102901602 /nfs/dbraw/zinc/90/16/02/1102901602.db2.gz BRHBUOCCZNANJB-APKLWFBNSA-N 1 3 370.581 4.474 20 0 FIADHO CCCC(CCC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265662 1103024950 /nfs/dbraw/zinc/02/49/50/1103024950.db2.gz YCIGFRMVHZYGKI-OAQYLSRUSA-N 1 3 358.570 4.474 20 0 FIADHO c1nc(SC2CCCC2)ncc1CCNC1CC[NH+](C2CCCC2)CC1 ZINC000551296402 1103051530 /nfs/dbraw/zinc/05/15/30/1103051530.db2.gz JPVYPGXJKHKXEQ-UHFFFAOYSA-N 1 3 374.598 4.050 20 0 FIADHO Fc1ccc(C(C[NH2+][C@@H]2CCNC3(CCC3)C2)c2ccc(F)cc2)cc1 ZINC000666993679 1103305718 /nfs/dbraw/zinc/30/57/18/1103305718.db2.gz BBNQCAPWOQSOKG-HXUWFJFHSA-N 1 3 356.460 4.361 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H]1COc2ccccc21 ZINC000507485316 1103433849 /nfs/dbraw/zinc/43/38/49/1103433849.db2.gz LKOTXXATFBUPDU-YZMLUHFISA-N 1 3 362.517 4.051 20 0 FIADHO Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394962 1104329826 /nfs/dbraw/zinc/32/98/26/1104329826.db2.gz QFBIAHQGEOXWAT-IIBYNOLFSA-N 1 3 371.912 4.444 20 0 FIADHO Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394962 1104329837 /nfs/dbraw/zinc/32/98/37/1104329837.db2.gz QFBIAHQGEOXWAT-IIBYNOLFSA-N 1 3 371.912 4.444 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000188445484 1104446046 /nfs/dbraw/zinc/44/60/46/1104446046.db2.gz VRWZETWYIYLZKB-FGZHOGPDSA-N 1 3 356.485 4.023 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000188445484 1104446052 /nfs/dbraw/zinc/44/60/52/1104446052.db2.gz VRWZETWYIYLZKB-FGZHOGPDSA-N 1 3 356.485 4.023 20 0 FIADHO Clc1ccc(-c2cnc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976683 1104484924 /nfs/dbraw/zinc/48/49/24/1104484924.db2.gz RZXJLUBFSBBHOK-SJORKVTESA-N 1 3 359.901 4.207 20 0 FIADHO COCCC1(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCCCC1 ZINC000189135435 1104782080 /nfs/dbraw/zinc/78/20/80/1104782080.db2.gz DQLCYKSKFVFBMY-QFIPXVFZSA-N 1 3 358.570 4.128 20 0 FIADHO Cc1ccc2cc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)ccc2n1 ZINC000189314717 1104794479 /nfs/dbraw/zinc/79/44/79/1104794479.db2.gz ALGULKLKRJGNKW-JOCHJYFZSA-N 1 3 359.517 4.197 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000388829659 1105045123 /nfs/dbraw/zinc/04/51/23/1105045123.db2.gz WZJIUXFKGGPFMS-ZWOKBUDYSA-N 1 3 356.485 4.396 20 0 FIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152406518 1105088090 /nfs/dbraw/zinc/08/80/90/1105088090.db2.gz AIKTVXSDKUICLE-ROUUACIJSA-N 1 3 350.506 4.497 20 0 FIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406518 1105088098 /nfs/dbraw/zinc/08/80/98/1105088098.db2.gz AIKTVXSDKUICLE-ROUUACIJSA-N 1 3 350.506 4.497 20 0 FIADHO Cc1ccc2ncc(C[NH2+]C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC001168007934 1105148036 /nfs/dbraw/zinc/14/80/36/1105148036.db2.gz VPJACHBWYARXMJ-OALUTQOASA-N 1 3 362.521 4.174 20 0 FIADHO c1cn2c(n1)[C@H](NCCCC[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000655711429 1106823849 /nfs/dbraw/zinc/82/38/49/1106823849.db2.gz JDCUQDPRZFMZAW-JOCHJYFZSA-N 1 3 366.553 4.043 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000531704827 1108084564 /nfs/dbraw/zinc/08/45/64/1108084564.db2.gz RBLLGKAFCXYZCD-NRFANRHFSA-N 1 3 358.913 4.448 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054944 1108131429 /nfs/dbraw/zinc/13/14/29/1108131429.db2.gz CYFVFIVZJYFFJE-OALUTQOASA-N 1 3 354.542 4.250 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054944 1108131433 /nfs/dbraw/zinc/13/14/33/1108131433.db2.gz CYFVFIVZJYFFJE-OALUTQOASA-N 1 3 354.542 4.250 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208583 1108278387 /nfs/dbraw/zinc/27/83/87/1108278387.db2.gz CHGGIICGGLSGCJ-FPOVZHCZSA-N 1 3 374.532 4.260 20 0 FIADHO CCC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213577 1108282532 /nfs/dbraw/zinc/28/25/32/1108282532.db2.gz APFMPANFOGJRHN-XZOQPEGZSA-N 1 3 370.581 4.474 20 0 FIADHO COc1ccc([C@@H](Cc2ccccc2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000453353302 1108454545 /nfs/dbraw/zinc/45/45/45/1108454545.db2.gz NQMPXXNSRVRYOF-ZYJGPIPZSA-N 1 3 350.506 4.194 20 0 FIADHO COc1ccc([C@@H](Cc2ccccc2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453353302 1108454552 /nfs/dbraw/zinc/45/45/52/1108454552.db2.gz NQMPXXNSRVRYOF-ZYJGPIPZSA-N 1 3 350.506 4.194 20 0 FIADHO COc1cccc(C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)c1 ZINC000453354155 1108456769 /nfs/dbraw/zinc/45/67/69/1108456769.db2.gz OFEUJPHDFPTCEQ-VYTWWXLVSA-N 1 3 350.506 4.194 20 0 FIADHO COc1cccc(C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)c1 ZINC000453354155 1108456776 /nfs/dbraw/zinc/45/67/76/1108456776.db2.gz OFEUJPHDFPTCEQ-VYTWWXLVSA-N 1 3 350.506 4.194 20 0 FIADHO COc1cccc(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)c1 ZINC000453354159 1108457562 /nfs/dbraw/zinc/45/75/62/1108457562.db2.gz OFEUJPHDFPTCEQ-ZYJGPIPZSA-N 1 3 350.506 4.194 20 0 FIADHO COc1cccc(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)c1 ZINC000453354159 1108457567 /nfs/dbraw/zinc/45/75/67/1108457567.db2.gz OFEUJPHDFPTCEQ-ZYJGPIPZSA-N 1 3 350.506 4.194 20 0 FIADHO CC(C)(C)N1CCC([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000475635430 1109014093 /nfs/dbraw/zinc/01/40/93/1109014093.db2.gz PQUDVHVRMKFXLH-UHFFFAOYSA-N 1 3 358.448 4.023 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097867 1109723709 /nfs/dbraw/zinc/72/37/09/1109723709.db2.gz RCPLERQPWSQHOT-UYAOXDASSA-N 1 3 362.521 4.306 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097867 1109723710 /nfs/dbraw/zinc/72/37/10/1109723710.db2.gz RCPLERQPWSQHOT-UYAOXDASSA-N 1 3 362.521 4.306 20 0 FIADHO C[C@H]([NH2+]CCCOc1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000544422442 1109791558 /nfs/dbraw/zinc/79/15/58/1109791558.db2.gz XXIIEMIBPMVVNK-DLBZAZTESA-N 1 3 350.934 4.352 20 0 FIADHO CCC[NH+]1CCC(N[C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000527844064 1109837696 /nfs/dbraw/zinc/83/76/96/1109837696.db2.gz DKMMIOQKWGKTFA-LBPRGKRZSA-N 1 3 363.855 4.149 20 0 FIADHO CCC[NH+]1CCC(N[C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000527844061 1109837831 /nfs/dbraw/zinc/83/78/31/1109837831.db2.gz DKMMIOQKWGKTFA-GFCCVEGCSA-N 1 3 363.855 4.149 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1CN1CCCCC1 ZINC000527933519 1109870069 /nfs/dbraw/zinc/87/00/69/1109870069.db2.gz VMAZYFUVVTWXTR-MOPGFXCFSA-N 1 3 360.542 4.148 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCN2CCCCCC2=O)CC1 ZINC000449061401 1109964943 /nfs/dbraw/zinc/96/49/43/1109964943.db2.gz ILYSKHXKSLCFKS-UHFFFAOYSA-N 1 3 365.606 4.048 20 0 FIADHO COc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc2ccccc21 ZINC000449088153 1109971442 /nfs/dbraw/zinc/97/14/42/1109971442.db2.gz HOZGHAVJASYYFB-UHFFFAOYSA-N 1 3 364.489 4.079 20 0 FIADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](c2ccsc2)N(C)C)CC1 ZINC000449070798 1109972557 /nfs/dbraw/zinc/97/25/57/1109972557.db2.gz LKRNDJRGAHGQOB-PGRDOPGGSA-N 1 3 371.594 4.036 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449130414 1109981793 /nfs/dbraw/zinc/98/17/93/1109981793.db2.gz YWZZVBVAHBBZOM-LJQANCHMSA-N 1 3 362.945 4.243 20 0 FIADHO Cc1nccn1CCCC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538664221 1111232433 /nfs/dbraw/zinc/23/24/33/1111232433.db2.gz ODNDTAMTEQRDPH-LJQANCHMSA-N 1 3 370.545 4.017 20 0 FIADHO Cc1nccn1CCCC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538664221 1111232437 /nfs/dbraw/zinc/23/24/37/1111232437.db2.gz ODNDTAMTEQRDPH-LJQANCHMSA-N 1 3 370.545 4.017 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060179 1111406553 /nfs/dbraw/zinc/40/65/53/1111406553.db2.gz PZAVOMHUYCQTJP-IGNZVWTISA-N 1 3 357.325 4.022 20 0 FIADHO Cc1nc2ccccc2nc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000253295633 1111512958 /nfs/dbraw/zinc/51/29/58/1111512958.db2.gz HEBAUWADRMWWLY-PFWHTEFJSA-N 1 3 374.532 4.184 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1[C@@H]3Cc4ccccc4[C@H]13)c1ccccc1O2 ZINC000539392823 1111540390 /nfs/dbraw/zinc/54/03/90/1111540390.db2.gz GEYJKCURVHQCEW-KHUIQGCPSA-N 1 3 374.528 4.150 20 0 FIADHO CC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000552062518 1111562800 /nfs/dbraw/zinc/56/28/00/1111562800.db2.gz ZZXNOASOXDEVDS-YPAWHYETSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@@H](O)[C@](C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)Cc1ccccc1 ZINC000477854493 1111578770 /nfs/dbraw/zinc/57/87/70/1111578770.db2.gz BKXPEKXQYMKZRY-CHOVIJNXSA-N 1 3 372.597 4.249 20 0 FIADHO C[C@H](O)[C@](C)(CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)Cc1ccccc1 ZINC000477858853 1111579952 /nfs/dbraw/zinc/57/99/52/1111579952.db2.gz MWUDVJKBELXPND-SHBJFUFKSA-N 1 3 372.597 4.249 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055372 1111937941 /nfs/dbraw/zinc/93/79/41/1111937941.db2.gz FICPBTQCSNDUSM-MRRJBJDNSA-N 1 3 351.332 4.244 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055372 1111937943 /nfs/dbraw/zinc/93/79/43/1111937943.db2.gz FICPBTQCSNDUSM-MRRJBJDNSA-N 1 3 351.332 4.244 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290016 1111986563 /nfs/dbraw/zinc/98/65/63/1111986563.db2.gz XFGXJRFNDLCHCK-NVXWUHKLSA-N 1 3 353.348 4.090 20 0 FIADHO CC1(C)C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367203 1112002035 /nfs/dbraw/zinc/00/20/35/1112002035.db2.gz WEEBUOHCQHLBOQ-ACJLOTCBSA-N 1 3 363.343 4.245 20 0 FIADHO CC1(C)C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367203 1112002036 /nfs/dbraw/zinc/00/20/36/1112002036.db2.gz WEEBUOHCQHLBOQ-ACJLOTCBSA-N 1 3 363.343 4.245 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463035 1112033271 /nfs/dbraw/zinc/03/32/71/1112033271.db2.gz HUWVMKYEFSKFQQ-TZIWHRDSSA-N 1 3 366.505 4.021 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463035 1112033275 /nfs/dbraw/zinc/03/32/75/1112033275.db2.gz HUWVMKYEFSKFQQ-TZIWHRDSSA-N 1 3 366.505 4.021 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000479463552 1112033633 /nfs/dbraw/zinc/03/36/33/1112033633.db2.gz IPRVUYDLNSKAJR-HKUYNNGSSA-N 1 3 355.501 4.064 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479551981 1112068509 /nfs/dbraw/zinc/06/85/09/1112068509.db2.gz ARZQDXWJLMHJHT-NRFANRHFSA-N 1 3 358.913 4.448 20 0 FIADHO C[C@@H]([NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480162460 1112309471 /nfs/dbraw/zinc/30/94/71/1112309471.db2.gz BRJDGEWZYXAQGN-BRWVUGGUSA-N 1 3 373.928 4.195 20 0 FIADHO c1cc(CNCc2ccc(OCC3CC3)cc2)cc(C[NH+]2CCCC2)c1 ZINC000480674291 1112539921 /nfs/dbraw/zinc/53/99/21/1112539921.db2.gz YACDUMBERLXCDG-UHFFFAOYSA-N 1 3 350.506 4.361 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000480714987 1112566695 /nfs/dbraw/zinc/56/66/95/1112566695.db2.gz RMEUQMSSNWDTGN-QFIPXVFZSA-N 1 3 356.485 4.323 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2ccccc2c1 ZINC000480888682 1112649643 /nfs/dbraw/zinc/64/96/43/1112649643.db2.gz IRRUSFDGIUBZMR-HXUWFJFHSA-N 1 3 373.544 4.438 20 0 FIADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC000480923475 1112676319 /nfs/dbraw/zinc/67/63/19/1112676319.db2.gz ZXSZTMVPPVSPGM-JOCHJYFZSA-N 1 3 371.956 4.328 20 0 FIADHO C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481730095 1113057066 /nfs/dbraw/zinc/05/70/66/1113057066.db2.gz SPXMKVNDGOVTSZ-AOMKIAJQSA-N 1 3 356.485 4.179 20 0 FIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481730097 1113058123 /nfs/dbraw/zinc/05/81/23/1113058123.db2.gz SPXMKVNDGOVTSZ-OPAMFIHVSA-N 1 3 356.485 4.179 20 0 FIADHO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000556051162 1113127553 /nfs/dbraw/zinc/12/75/53/1113127553.db2.gz QVJLCRJJLHPDDA-QFIPXVFZSA-N 1 3 366.505 4.310 20 0 FIADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943038 1113135809 /nfs/dbraw/zinc/13/58/09/1113135809.db2.gz DYASQBIGVUHUCK-ILWGZMRPSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943038 1113135814 /nfs/dbraw/zinc/13/58/14/1113135814.db2.gz DYASQBIGVUHUCK-ILWGZMRPSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943038 1113135821 /nfs/dbraw/zinc/13/58/21/1113135821.db2.gz DYASQBIGVUHUCK-ILWGZMRPSA-N 1 3 369.553 4.163 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000162941380 1113268992 /nfs/dbraw/zinc/26/89/92/1113268992.db2.gz JQFBYTKZLRYXAV-GOSISDBHSA-N 1 3 366.505 4.295 20 0 FIADHO CCC[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1 ZINC000482561530 1113295748 /nfs/dbraw/zinc/29/57/48/1113295748.db2.gz BNOQGUQAZFUTGI-IBGZPJMESA-N 1 3 350.934 4.416 20 0 FIADHO c1ccc2c(c1)sc1c2CCC[C@@H]1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483219527 1113467345 /nfs/dbraw/zinc/46/73/45/1113467345.db2.gz UGCOASIGJKXVSF-JXFKEZNVSA-N 1 3 370.562 4.369 20 0 FIADHO COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486461859 1113572649 /nfs/dbraw/zinc/57/26/49/1113572649.db2.gz PQAOILFBWFSTDI-VOLZKQTNSA-N 1 3 350.506 4.209 20 0 FIADHO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486489868 1113577226 /nfs/dbraw/zinc/57/72/26/1113577226.db2.gz PFPCJMJRTUMCPP-CVDCTZTESA-N 1 3 374.532 4.087 20 0 FIADHO C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486489868 1113577229 /nfs/dbraw/zinc/57/72/29/1113577229.db2.gz PFPCJMJRTUMCPP-CVDCTZTESA-N 1 3 374.532 4.087 20 0 FIADHO C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489868 1113577234 /nfs/dbraw/zinc/57/72/34/1113577234.db2.gz PFPCJMJRTUMCPP-CVDCTZTESA-N 1 3 374.532 4.087 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708758 1113627239 /nfs/dbraw/zinc/62/72/39/1113627239.db2.gz KHDXSYZFXXNAEB-IERDGZPVSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708758 1113627243 /nfs/dbraw/zinc/62/72/43/1113627243.db2.gz KHDXSYZFXXNAEB-IERDGZPVSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1C[C@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000486717113 1113628200 /nfs/dbraw/zinc/62/82/00/1113628200.db2.gz MZQHMMYSCUNQFB-OXQOHEQNSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@@H]1C[C@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717113 1113628202 /nfs/dbraw/zinc/62/82/02/1113628202.db2.gz MZQHMMYSCUNQFB-OXQOHEQNSA-N 1 3 351.469 4.450 20 0 FIADHO Clc1ccsc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000486935661 1113683830 /nfs/dbraw/zinc/68/38/30/1113683830.db2.gz LTCOJEYPSAGWLV-UHFFFAOYSA-N 1 3 363.958 4.094 20 0 FIADHO CC1CC[NH+](CCCCNCc2ccc(Br)cc2F)CC1 ZINC000589836476 1114847212 /nfs/dbraw/zinc/84/72/12/1114847212.db2.gz KJNSRLLYWZJFSR-UHFFFAOYSA-N 1 3 357.311 4.190 20 0 FIADHO C[NH+](C)CCCCNCc1csc(-c2cccc(Br)c2)n1 ZINC000589836841 1114847495 /nfs/dbraw/zinc/84/74/95/1114847495.db2.gz DDTKJGNEZIZSJI-UHFFFAOYSA-N 1 3 368.344 4.004 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1CN1CCCCC1 ZINC000157768407 1115293461 /nfs/dbraw/zinc/29/34/61/1115293461.db2.gz ABXCCODDBOCTJK-HYVJGQCMSA-N 1 3 372.553 4.289 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)ccc1OC ZINC000157829902 1115345223 /nfs/dbraw/zinc/34/52/23/1115345223.db2.gz NTJCSGYYZFJXKY-BUKVSMQUSA-N 1 3 360.542 4.145 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Br)cn1 ZINC000574811641 1115496924 /nfs/dbraw/zinc/49/69/24/1115496924.db2.gz LSQUIZZYCPZDLZ-GJZGRUSLSA-N 1 3 354.336 4.007 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Br)cn1 ZINC000574811641 1115496927 /nfs/dbraw/zinc/49/69/27/1115496927.db2.gz LSQUIZZYCPZDLZ-GJZGRUSLSA-N 1 3 354.336 4.007 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C[C@@H](C)O1 ZINC000575110139 1115546338 /nfs/dbraw/zinc/54/63/38/1115546338.db2.gz RETBSCKXQAFOQG-LZJOCLMNSA-N 1 3 364.961 4.140 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000669614550 1115668125 /nfs/dbraw/zinc/66/81/25/1115668125.db2.gz YLSRVWJVXMPCTO-NFBKMPQASA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614550 1115668129 /nfs/dbraw/zinc/66/81/29/1115668129.db2.gz YLSRVWJVXMPCTO-NFBKMPQASA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000669614550 1115668132 /nfs/dbraw/zinc/66/81/32/1115668132.db2.gz YLSRVWJVXMPCTO-NFBKMPQASA-N 1 3 364.533 4.227 20 0 FIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-n2cccn2)cc1 ZINC000509449415 1116198479 /nfs/dbraw/zinc/19/84/79/1116198479.db2.gz PPCRZUPXVZYFND-HSZRJFAPSA-N 1 3 374.532 4.263 20 0 FIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-n2cccn2)cc1 ZINC000509449415 1116198480 /nfs/dbraw/zinc/19/84/80/1116198480.db2.gz PPCRZUPXVZYFND-HSZRJFAPSA-N 1 3 374.532 4.263 20 0 FIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-n2cccn2)cc1 ZINC000509449419 1116198567 /nfs/dbraw/zinc/19/85/67/1116198567.db2.gz PPCRZUPXVZYFND-QHCPKHFHSA-N 1 3 374.532 4.263 20 0 FIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-n2cccn2)cc1 ZINC000509449419 1116198568 /nfs/dbraw/zinc/19/85/68/1116198568.db2.gz PPCRZUPXVZYFND-QHCPKHFHSA-N 1 3 374.532 4.263 20 0 FIADHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000535230303 1116283289 /nfs/dbraw/zinc/28/32/89/1116283289.db2.gz RAIXMFMWPZLXTL-IBGZPJMESA-N 1 3 372.384 4.452 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000539852542 1116393002 /nfs/dbraw/zinc/39/30/02/1116393002.db2.gz VWRIFGKUEMOFDA-UHFFFAOYSA-N 1 3 356.514 4.066 20 0 FIADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462783465 1117765571 /nfs/dbraw/zinc/76/55/71/1117765571.db2.gz PDUHEJFDBSNCTO-DHIUTWEWSA-N 1 3 356.554 4.202 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000540262759 1117962951 /nfs/dbraw/zinc/96/29/51/1117962951.db2.gz HTPBALLKZWMMTA-XMMPIXPASA-N 1 3 363.549 4.065 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000463109394 1117967847 /nfs/dbraw/zinc/96/78/47/1117967847.db2.gz QWNKVUACQVMJGM-OAQYLSRUSA-N 1 3 368.569 4.323 20 0 FIADHO Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000463109394 1117967849 /nfs/dbraw/zinc/96/78/49/1117967849.db2.gz QWNKVUACQVMJGM-OAQYLSRUSA-N 1 3 368.569 4.323 20 0 FIADHO Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000463109394 1117967852 /nfs/dbraw/zinc/96/78/52/1117967852.db2.gz QWNKVUACQVMJGM-OAQYLSRUSA-N 1 3 368.569 4.323 20 0 FIADHO Fc1ccc(CC[NH+]2CCC(N[C@H]3CCc4c3cccc4F)CC2)cc1 ZINC000463115068 1117970140 /nfs/dbraw/zinc/97/01/40/1117970140.db2.gz IMUNNRMWFNGKBM-QFIPXVFZSA-N 1 3 356.460 4.249 20 0 FIADHO C[C@@H]1C[C@H](NCc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130463 1117976415 /nfs/dbraw/zinc/97/64/15/1117976415.db2.gz WNWLUKXCYQRGBI-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@H](NCc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130463 1117976421 /nfs/dbraw/zinc/97/64/21/1117976421.db2.gz WNWLUKXCYQRGBI-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C[C@H](C)O1 ZINC000540320795 1117983451 /nfs/dbraw/zinc/98/34/51/1117983451.db2.gz NBCVVPQVYKWUJS-YRNRMSPPSA-N 1 3 350.934 4.270 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)C1 ZINC000540409273 1118037443 /nfs/dbraw/zinc/03/74/43/1118037443.db2.gz UZFOLHSJSAKFIN-OGHNNQOOSA-N 1 3 369.372 4.163 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645826 1118172430 /nfs/dbraw/zinc/17/24/30/1118172430.db2.gz LITWJRXMBDJTHM-VGSWGCGISA-N 1 3 356.510 4.220 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000541914737 1118699216 /nfs/dbraw/zinc/69/92/16/1118699216.db2.gz IXBJQEQHXFUOIN-GQIGUUNPSA-N 1 3 354.485 4.141 20 0 FIADHO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000311072870 1119357103 /nfs/dbraw/zinc/35/71/03/1119357103.db2.gz KLIAHLOXIYVSHG-APWZRJJASA-N 1 3 358.913 4.349 20 0 FIADHO C[C@@H](NCc1ccc(OC(F)F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178281715 1119382033 /nfs/dbraw/zinc/38/20/33/1119382033.db2.gz MUEGPOZSDBQLTH-OAHLLOKOSA-N 1 3 364.436 4.079 20 0 FIADHO Fc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000311803564 1119389938 /nfs/dbraw/zinc/38/99/38/1119389938.db2.gz NXBDADUTKBHUEY-QGZVFWFLSA-N 1 3 366.402 4.456 20 0 FIADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183155286 1119567288 /nfs/dbraw/zinc/56/72/88/1119567288.db2.gz GSSAIRGZWAVIIX-YPVJZLTNSA-N 1 3 367.537 4.285 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000191571197 1119985098 /nfs/dbraw/zinc/98/50/98/1119985098.db2.gz ABTDOMDKHDNJSH-HSZRJFAPSA-N 1 3 368.569 4.111 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000191571197 1119985100 /nfs/dbraw/zinc/98/51/00/1119985100.db2.gz ABTDOMDKHDNJSH-HSZRJFAPSA-N 1 3 368.569 4.111 20 0 FIADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727647 1120078816 /nfs/dbraw/zinc/07/88/16/1120078816.db2.gz JZJUYAZFAHHKKK-DHIUTWEWSA-N 1 3 357.586 4.061 20 0 FIADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727647 1120078824 /nfs/dbraw/zinc/07/88/24/1120078824.db2.gz JZJUYAZFAHHKKK-DHIUTWEWSA-N 1 3 357.586 4.061 20 0 FIADHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132428 1120119383 /nfs/dbraw/zinc/11/93/83/1120119383.db2.gz JRXJOOUDBYLEMS-XLIONFOSSA-N 1 3 354.542 4.119 20 0 FIADHO C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000542534264 1120435875 /nfs/dbraw/zinc/43/58/75/1120435875.db2.gz RNHNTTUBGLLMTL-IAGOWNOFSA-N 1 3 350.934 4.352 20 0 FIADHO Cc1ccccc1[C@H](NCc1ccncc1OCC[NH+](C)C)C1CCCC1 ZINC000495034019 1120439520 /nfs/dbraw/zinc/43/95/20/1120439520.db2.gz ZPZFPGJTPIFBHW-HSZRJFAPSA-N 1 3 367.537 4.352 20 0 FIADHO C[C@H](c1ccc(Cl)cc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228927307 1120454747 /nfs/dbraw/zinc/45/47/47/1120454747.db2.gz BBUSTTIOUWKNMR-IXDOHACOSA-N 1 3 350.934 4.222 20 0 FIADHO C[C@H](c1ccc(Cl)cc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228927307 1120454756 /nfs/dbraw/zinc/45/47/56/1120454756.db2.gz BBUSTTIOUWKNMR-IXDOHACOSA-N 1 3 350.934 4.222 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cc(Br)ncc1F ZINC000762736734 1120956719 /nfs/dbraw/zinc/95/67/19/1120956719.db2.gz RRFLNDBMTBEWCX-UONOGXRCSA-N 1 3 372.326 4.288 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cc(Br)ncc1F ZINC000762736734 1120956721 /nfs/dbraw/zinc/95/67/21/1120956721.db2.gz RRFLNDBMTBEWCX-UONOGXRCSA-N 1 3 372.326 4.288 20 0 FIADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000397562849 1121222304 /nfs/dbraw/zinc/22/23/04/1121222304.db2.gz YTIMCHXBQSIIER-QGZVFWFLSA-N 1 3 358.913 4.018 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)CC1 ZINC000061070069 1121507026 /nfs/dbraw/zinc/50/70/26/1121507026.db2.gz RLPCTNJHTQSFED-UHFFFAOYSA-N 1 3 373.544 4.267 20 0 FIADHO C[C@@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)CN1CCCC1 ZINC000062078467 1121595829 /nfs/dbraw/zinc/59/58/29/1121595829.db2.gz BUBHXJOPBRDJSM-NXVRBGIVSA-N 1 3 351.332 4.017 20 0 FIADHO C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)CN1CCCC1 ZINC000062078481 1121596870 /nfs/dbraw/zinc/59/68/70/1121596870.db2.gz CFLYYJTYMISPNV-MXWWQKGMSA-N 1 3 351.332 4.017 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000062252842 1121616297 /nfs/dbraw/zinc/61/62/97/1121616297.db2.gz DXMUMCUGESPYOS-ROUUACIJSA-N 1 3 358.551 4.394 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000125183385 1121754127 /nfs/dbraw/zinc/75/41/27/1121754127.db2.gz YVNKMZIRSOTVBU-OALUTQOASA-N 1 3 354.542 4.281 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000125183385 1121754132 /nfs/dbraw/zinc/75/41/32/1121754132.db2.gz YVNKMZIRSOTVBU-OALUTQOASA-N 1 3 354.542 4.281 20 0 FIADHO Brc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)s1 ZINC000671764911 1121815356 /nfs/dbraw/zinc/81/53/56/1121815356.db2.gz UYKYVFXNUGVICK-KBPBESRZSA-N 1 3 369.372 4.149 20 0 FIADHO Brc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)s1 ZINC000671764911 1121815378 /nfs/dbraw/zinc/81/53/78/1121815378.db2.gz UYKYVFXNUGVICK-KBPBESRZSA-N 1 3 369.372 4.149 20 0 FIADHO CCC(CC)N1CCC([NH2+][C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168608276 1121970578 /nfs/dbraw/zinc/97/05/78/1121970578.db2.gz CRNDTMNGIZNDQI-SIKLNZKXSA-N 1 3 360.542 4.158 20 0 FIADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCO2 ZINC000126710281 1121978836 /nfs/dbraw/zinc/97/88/36/1121978836.db2.gz HFOBAWUCHLIZMF-GCJKJVERSA-N 1 3 372.553 4.114 20 0 FIADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126802456 1121998227 /nfs/dbraw/zinc/99/82/27/1121998227.db2.gz MIDPGQJYHZUYSP-HZPDHXFCSA-N 1 3 362.514 4.459 20 0 FIADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126802456 1121998229 /nfs/dbraw/zinc/99/82/29/1121998229.db2.gz MIDPGQJYHZUYSP-HZPDHXFCSA-N 1 3 362.514 4.459 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837560 1122015487 /nfs/dbraw/zinc/01/54/87/1122015487.db2.gz CRFSNDLUTXDSDK-IAGOWNOFSA-N 1 3 372.534 4.082 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837560 1122015494 /nfs/dbraw/zinc/01/54/94/1122015494.db2.gz CRFSNDLUTXDSDK-IAGOWNOFSA-N 1 3 372.534 4.082 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897796 1122025668 /nfs/dbraw/zinc/02/56/68/1122025668.db2.gz QPNGAUWOCLDJJS-CVEARBPZSA-N 1 3 358.507 4.040 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897796 1122025676 /nfs/dbraw/zinc/02/56/76/1122025676.db2.gz QPNGAUWOCLDJJS-CVEARBPZSA-N 1 3 358.507 4.040 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@@H+](Cc3ccccc3)C[C@@H](C)CN)CCO2)cc1 ZINC001168615493 1122069654 /nfs/dbraw/zinc/06/96/54/1122069654.db2.gz OFDINLDFYPIIFB-ZEYPLWLESA-N 1 3 368.521 4.012 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@H+](Cc3ccccc3)C[C@@H](C)CN)CCO2)cc1 ZINC001168615493 1122069661 /nfs/dbraw/zinc/06/96/61/1122069661.db2.gz OFDINLDFYPIIFB-ZEYPLWLESA-N 1 3 368.521 4.012 20 0 FIADHO [NH3+]CCCCCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000843126775 1122256121 /nfs/dbraw/zinc/25/61/21/1122256121.db2.gz IZEKRDUBJLXGGD-UHFFFAOYSA-N 1 3 357.445 4.438 20 0 FIADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000556089802 1122643719 /nfs/dbraw/zinc/64/37/19/1122643719.db2.gz MKWVMGISOCEJHT-GOSISDBHSA-N 1 3 372.557 4.009 20 0 FIADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000556089802 1122643723 /nfs/dbraw/zinc/64/37/23/1122643723.db2.gz MKWVMGISOCEJHT-GOSISDBHSA-N 1 3 372.557 4.009 20 0 FIADHO Cc1n[nH]cc1C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000556608734 1123003052 /nfs/dbraw/zinc/00/30/52/1123003052.db2.gz NNZYBNAMFKKRJF-UHFFFAOYSA-N 1 3 354.542 4.056 20 0 FIADHO Cc1n[nH]cc1C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000556608734 1123003055 /nfs/dbraw/zinc/00/30/55/1123003055.db2.gz NNZYBNAMFKKRJF-UHFFFAOYSA-N 1 3 354.542 4.056 20 0 FIADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556871808 1123152791 /nfs/dbraw/zinc/15/27/91/1123152791.db2.gz MXXHRQKNRHDLBI-JMJGKCIBSA-N 1 3 358.570 4.066 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232946 1123341551 /nfs/dbraw/zinc/34/15/51/1123341551.db2.gz ZFUNUWZLYUSKAJ-MVWVFHAYSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232946 1123341554 /nfs/dbraw/zinc/34/15/54/1123341554.db2.gz ZFUNUWZLYUSKAJ-MVWVFHAYSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232944 1123341641 /nfs/dbraw/zinc/34/16/41/1123341641.db2.gz ZFUNUWZLYUSKAJ-CIQXWFTPSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232944 1123341643 /nfs/dbraw/zinc/34/16/43/1123341643.db2.gz ZFUNUWZLYUSKAJ-CIQXWFTPSA-N 1 3 368.496 4.378 20 0 FIADHO c1ccc(COc2cccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000245618296 1124145795 /nfs/dbraw/zinc/14/57/95/1124145795.db2.gz VZJVCWSIMCLKNG-VXKWHMMOSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2cccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000245618296 1124145796 /nfs/dbraw/zinc/14/57/96/1124145796.db2.gz VZJVCWSIMCLKNG-VXKWHMMOSA-N 1 3 350.506 4.025 20 0 FIADHO Cc1cc(Br)cc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236458102 1124183565 /nfs/dbraw/zinc/18/35/65/1124183565.db2.gz UJRZWZIBRIVUNZ-UHFFFAOYSA-N 1 3 353.348 4.358 20 0 FIADHO Cc1cc(Br)cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236458102 1124183573 /nfs/dbraw/zinc/18/35/73/1124183573.db2.gz UJRZWZIBRIVUNZ-UHFFFAOYSA-N 1 3 353.348 4.358 20 0 FIADHO Cc1cc(Br)cc(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458102 1124183581 /nfs/dbraw/zinc/18/35/81/1124183581.db2.gz UJRZWZIBRIVUNZ-UHFFFAOYSA-N 1 3 353.348 4.358 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000246346868 1124460793 /nfs/dbraw/zinc/46/07/93/1124460793.db2.gz HHWHUUWGPOANML-ZOCIIQOWSA-N 1 3 370.459 4.124 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc(C)c(C)cc3C)cc2)CC1 ZINC000642627043 1124531333 /nfs/dbraw/zinc/53/13/33/1124531333.db2.gz KCQZLBNJJGUBCX-UHFFFAOYSA-N 1 3 365.565 4.039 20 0 FIADHO C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000246920116 1124573273 /nfs/dbraw/zinc/57/32/73/1124573273.db2.gz GHRWQBKWOVDVOU-NMNUPHIUSA-N 1 3 368.521 4.198 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCCOc4ccccc43)C2)cc1 ZINC000246971844 1124577053 /nfs/dbraw/zinc/57/70/53/1124577053.db2.gz JNVYZAQGPKMMES-IRLDBZIGSA-N 1 3 350.506 4.055 20 0 FIADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396051 1124760307 /nfs/dbraw/zinc/76/03/07/1124760307.db2.gz GSSAIRGZWAVIIX-XUFNMVPLSA-N 1 3 367.537 4.285 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248402541 1124762811 /nfs/dbraw/zinc/76/28/11/1124762811.db2.gz NHPKBHIHABRBKT-WFXMLNOXSA-N 1 3 366.553 4.484 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248402541 1124762816 /nfs/dbraw/zinc/76/28/16/1124762816.db2.gz NHPKBHIHABRBKT-WFXMLNOXSA-N 1 3 366.553 4.484 20 0 FIADHO CSc1ccccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000249579461 1124866832 /nfs/dbraw/zinc/86/68/32/1124866832.db2.gz NBECPCHCXZEEEX-XLIONFOSSA-N 1 3 370.562 4.216 20 0 FIADHO CSc1ccccc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249579461 1124866886 /nfs/dbraw/zinc/86/68/86/1124866886.db2.gz NBECPCHCXZEEEX-XLIONFOSSA-N 1 3 370.562 4.216 20 0 FIADHO C[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089520319 1124913647 /nfs/dbraw/zinc/91/36/47/1124913647.db2.gz PRTDLILWIIORCH-OAHLLOKOSA-N 1 3 364.436 4.079 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000090524992 1125001007 /nfs/dbraw/zinc/00/10/07/1125001007.db2.gz UPIIHTRZCIDING-KYNGSXCRSA-N 1 3 370.459 4.124 20 0 FIADHO CC(C)COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523879 1125001507 /nfs/dbraw/zinc/00/15/07/1125001507.db2.gz DAWHEUAAUNYBGT-NMNUPHIUSA-N 1 3 374.569 4.140 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc3c(c2)OCO3)ccc1OC ZINC000182192333 1125284798 /nfs/dbraw/zinc/28/47/98/1125284798.db2.gz NKPKJHXETLVMEO-INIZCTEOSA-N 1 3 370.493 4.117 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1CN1CCCCC1 ZINC000182202418 1125287890 /nfs/dbraw/zinc/28/78/90/1125287890.db2.gz ZISFSSTZXPVSPW-GCJKJVERSA-N 1 3 368.521 4.065 20 0 FIADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc(C)ccc1OC ZINC000093399079 1125318400 /nfs/dbraw/zinc/31/84/00/1125318400.db2.gz DTQKZWFTWKVCKH-OAQYLSRUSA-N 1 3 356.510 4.185 20 0 FIADHO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643737 1125438968 /nfs/dbraw/zinc/43/89/68/1125438968.db2.gz INSGGPVNAFWPMT-IRLDBZIGSA-N 1 3 357.501 4.189 20 0 FIADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643737 1125438969 /nfs/dbraw/zinc/43/89/69/1125438969.db2.gz INSGGPVNAFWPMT-IRLDBZIGSA-N 1 3 357.501 4.189 20 0 FIADHO CCCCC/C(=C/c1ccccc1)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602278692 567962732 /nfs/dbraw/zinc/96/27/32/567962732.db2.gz YDFYQMURUWZTKU-NMFWXREBSA-N 1 3 369.597 4.408 20 0 FIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000186902554 568007400 /nfs/dbraw/zinc/00/74/00/568007400.db2.gz FCIQNNPWHQDOSJ-CHWSQXEVSA-N 1 3 360.315 4.144 20 0 FIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120066 568224901 /nfs/dbraw/zinc/22/49/01/568224901.db2.gz QNZOPSGHSADHDO-IFMALSPDSA-N 1 3 355.570 4.038 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000093643909 1125469811 /nfs/dbraw/zinc/46/98/11/1125469811.db2.gz YQJCZQLHKSMIGJ-AUUYWEPGSA-N 1 3 360.933 4.057 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000093643909 1125469817 /nfs/dbraw/zinc/46/98/17/1125469817.db2.gz YQJCZQLHKSMIGJ-AUUYWEPGSA-N 1 3 360.933 4.057 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc([C@H](C)O)cc2)ccc1OC ZINC000182574652 1125572723 /nfs/dbraw/zinc/57/27/23/1125572723.db2.gz KSYDHQWNRWIWNX-MSOLQXFVSA-N 1 3 370.537 4.441 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)ccc1OC ZINC000182998518 1125714181 /nfs/dbraw/zinc/71/41/81/1125714181.db2.gz LEFFIMZILKWXRF-HZPDHXFCSA-N 1 3 373.541 4.424 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000183229736 1125784764 /nfs/dbraw/zinc/78/47/64/1125784764.db2.gz SHJQKSDEWKVTOY-VHHKXPHXSA-N 1 3 372.553 4.145 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000154846303 1080443172 /nfs/dbraw/zinc/44/31/72/1080443172.db2.gz MHYPMSRSUFSOSI-KRWDZBQOSA-N 1 3 353.510 4.336 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000154846303 1080443174 /nfs/dbraw/zinc/44/31/74/1080443174.db2.gz MHYPMSRSUFSOSI-KRWDZBQOSA-N 1 3 353.510 4.336 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312496251 1080877749 /nfs/dbraw/zinc/87/77/49/1080877749.db2.gz KUCQSJVCRDSFNF-UEXGIBASSA-N 1 3 368.521 4.265 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312496252 1080878027 /nfs/dbraw/zinc/87/80/27/1080878027.db2.gz KUCQSJVCRDSFNF-WAOWUJCRSA-N 1 3 368.521 4.265 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(OC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237570089 1080975636 /nfs/dbraw/zinc/97/56/36/1080975636.db2.gz JCGOLNRAIJXZIA-QFBILLFUSA-N 1 3 360.448 4.431 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237570089 1080975639 /nfs/dbraw/zinc/97/56/39/1080975639.db2.gz JCGOLNRAIJXZIA-QFBILLFUSA-N 1 3 360.448 4.431 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(OC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237595463 1080976475 /nfs/dbraw/zinc/97/64/75/1080976475.db2.gz JCGOLNRAIJXZIA-VQIMIIECSA-N 1 3 360.448 4.431 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237595463 1080976477 /nfs/dbraw/zinc/97/64/77/1080976477.db2.gz JCGOLNRAIJXZIA-VQIMIIECSA-N 1 3 360.448 4.431 20 0 FIADHO CC(C)c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000537955319 1081448512 /nfs/dbraw/zinc/44/85/12/1081448512.db2.gz RDIDVKJJEITZKH-XPWALMASSA-N 1 3 356.554 4.155 20 0 FIADHO CCC[N@H+](CCCN1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167333766 1081456551 /nfs/dbraw/zinc/45/65/51/1081456551.db2.gz ZNIFFRJYZLRHKT-HSZRJFAPSA-N 1 3 357.586 4.239 20 0 FIADHO CCC[N@@H+](CCCN1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167333766 1081456556 /nfs/dbraw/zinc/45/65/56/1081456556.db2.gz ZNIFFRJYZLRHKT-HSZRJFAPSA-N 1 3 357.586 4.239 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N1CCCCCC1 ZINC000510389112 1082470403 /nfs/dbraw/zinc/47/04/03/1082470403.db2.gz NUKMAMBTSNPFIZ-MOPGFXCFSA-N 1 3 357.542 4.122 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1CCCCCC1 ZINC000510389112 1082470405 /nfs/dbraw/zinc/47/04/05/1082470405.db2.gz NUKMAMBTSNPFIZ-MOPGFXCFSA-N 1 3 357.542 4.122 20 0 FIADHO CCCC[C@H](CC)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000581384495 1082507123 /nfs/dbraw/zinc/50/71/23/1082507123.db2.gz YQJXNHNRMSTLIS-VXKWHMMOSA-N 1 3 358.570 4.474 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000656683740 1082717701 /nfs/dbraw/zinc/71/77/01/1082717701.db2.gz QALVRJAJGAGPNE-MRXNPFEDSA-N 1 3 373.928 4.306 20 0 FIADHO COc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656785103 1082769540 /nfs/dbraw/zinc/76/95/40/1082769540.db2.gz IKGDDYIPFQWUAX-SFHVURJKSA-N 1 3 371.550 4.030 20 0 FIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccccc3OC(F)F)CC2)C1 ZINC000471781747 1082983614 /nfs/dbraw/zinc/98/36/14/1082983614.db2.gz RJKYSDFLFMYQJB-APWZRJJASA-N 1 3 366.496 4.463 20 0 FIADHO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000658320215 1083406228 /nfs/dbraw/zinc/40/62/28/1083406228.db2.gz RUZDZRMPUAYGLH-KNQAVFIVSA-N 1 3 366.553 4.417 20 0 FIADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H](CCO)c1ccccc1 ZINC001167544465 1084548947 /nfs/dbraw/zinc/54/89/47/1084548947.db2.gz NQWXCQPPRGIIRP-QHCPKHFHSA-N 1 3 352.522 4.228 20 0 FIADHO c1sc2ccccc2c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612381 1085687723 /nfs/dbraw/zinc/68/77/23/1085687723.db2.gz MZDHQCLWCXQHOI-UHFFFAOYSA-N 1 3 351.519 4.298 20 0 FIADHO C[NH+]1CCC2(CCN(Cc3ccc(F)c(OC(F)(F)F)c3)CC2)CC1 ZINC001143447449 1085712893 /nfs/dbraw/zinc/71/28/93/1085712893.db2.gz VCLLVVYGGJJWTN-UHFFFAOYSA-N 1 3 360.395 4.032 20 0 FIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347988 1085919643 /nfs/dbraw/zinc/91/96/43/1085919643.db2.gz QTEIBWOQEBOWEA-MJXUCMMTSA-N 1 3 357.325 4.273 20 0 FIADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(SC(F)F)cc2)CC1 ZINC000159213333 1086443785 /nfs/dbraw/zinc/44/37/85/1086443785.db2.gz ZASFRENJOODFBO-CQSZACIVSA-N 1 3 358.498 4.153 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290506 1086531016 /nfs/dbraw/zinc/53/10/16/1086531016.db2.gz ZOYHWNOSWSGQQH-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290506 1086531021 /nfs/dbraw/zinc/53/10/21/1086531021.db2.gz ZOYHWNOSWSGQQH-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO CCc1ccc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000512113482 1086782422 /nfs/dbraw/zinc/78/24/22/1086782422.db2.gz DGIYRKPLRGRHQK-KDURUIRLSA-N 1 3 351.538 4.412 20 0 FIADHO CCc1ccc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000512113482 1086782430 /nfs/dbraw/zinc/78/24/30/1086782430.db2.gz DGIYRKPLRGRHQK-KDURUIRLSA-N 1 3 351.538 4.412 20 0 FIADHO COCc1csc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000657772294 1086813379 /nfs/dbraw/zinc/81/33/79/1086813379.db2.gz LPZFQCXEOQLKDM-FQEVSTJZSA-N 1 3 370.562 4.286 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1ccc(F)c2Br ZINC000650756037 1086964653 /nfs/dbraw/zinc/96/46/53/1086964653.db2.gz SAVGPJYSRLEJLW-QGZVFWFLSA-N 1 3 363.274 4.085 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000151167513 1086984436 /nfs/dbraw/zinc/98/44/36/1086984436.db2.gz ICUDQPRDCKNSEZ-CQSZACIVSA-N 1 3 352.400 4.498 20 0 FIADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898773 1087021693 /nfs/dbraw/zinc/02/16/93/1087021693.db2.gz LJRWUEMETQJCCI-INIZCTEOSA-N 1 3 350.478 4.289 20 0 FIADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898773 1087021696 /nfs/dbraw/zinc/02/16/96/1087021696.db2.gz LJRWUEMETQJCCI-INIZCTEOSA-N 1 3 350.478 4.289 20 0 FIADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2F)s1 ZINC000151362641 1087092349 /nfs/dbraw/zinc/09/23/49/1087092349.db2.gz WFMFQNADDULKDR-HNNXBMFYSA-N 1 3 362.514 4.052 20 0 FIADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(SC(F)F)cc1 ZINC000133132169 1087123407 /nfs/dbraw/zinc/12/34/07/1087123407.db2.gz KRJZBCVSAPWJCA-HUUCEWRRSA-N 1 3 370.509 4.153 20 0 FIADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cc2ccncc2s1 ZINC000657863825 1087430467 /nfs/dbraw/zinc/43/04/67/1087430467.db2.gz WKSJRXVGJUBIGC-HNNXBMFYSA-N 1 3 355.507 4.088 20 0 FIADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cc2ccncc2s1 ZINC000657863826 1087430571 /nfs/dbraw/zinc/43/05/71/1087430571.db2.gz WKSJRXVGJUBIGC-OAHLLOKOSA-N 1 3 355.507 4.088 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000685443826 1087569451 /nfs/dbraw/zinc/56/94/51/1087569451.db2.gz WQMHWLQORRYQBX-CBQGHPETSA-N 1 3 368.496 4.462 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000685443826 1087569456 /nfs/dbraw/zinc/56/94/56/1087569456.db2.gz WQMHWLQORRYQBX-CBQGHPETSA-N 1 3 368.496 4.462 20 0 FIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccnc4ccccc34)CC2)C1 ZINC000658125361 1087732806 /nfs/dbraw/zinc/73/28/06/1087732806.db2.gz BFJJAIOGLJLVSH-NQIIRXRSSA-N 1 3 351.538 4.410 20 0 FIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccnc3ccccc23)CC1 ZINC000658128198 1087733323 /nfs/dbraw/zinc/73/33/23/1087733323.db2.gz TYBZJLJGFULGBQ-MBSDFSHPSA-N 1 3 351.538 4.410 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(C)ccc1OC ZINC000658165392 1087762908 /nfs/dbraw/zinc/76/29/08/1087762908.db2.gz JHDMVNNGXIRTAM-QFIPXVFZSA-N 1 3 367.537 4.352 20 0 FIADHO CSc1ccccc1C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168430 1087764454 /nfs/dbraw/zinc/76/44/54/1087764454.db2.gz XBYGMFXFYIBGOD-SFHVURJKSA-N 1 3 369.578 4.236 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000163568474 1088292257 /nfs/dbraw/zinc/29/22/57/1088292257.db2.gz KINHUXCSSAWVDI-CRICUBBOSA-N 1 3 358.551 4.117 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659285869 1088416752 /nfs/dbraw/zinc/41/67/52/1088416752.db2.gz SMEXWIPTMJZDDG-VGSWGCGISA-N 1 3 363.505 4.234 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659285869 1088416760 /nfs/dbraw/zinc/41/67/60/1088416760.db2.gz SMEXWIPTMJZDDG-VGSWGCGISA-N 1 3 363.505 4.234 20 0 FIADHO CCOCOc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000782955099 1088740646 /nfs/dbraw/zinc/74/06/46/1088740646.db2.gz BWIPSCVBKZHYAS-LJQANCHMSA-N 1 3 374.550 4.123 20 0 FIADHO CCOCOc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000782955099 1088740663 /nfs/dbraw/zinc/74/06/63/1088740663.db2.gz BWIPSCVBKZHYAS-LJQANCHMSA-N 1 3 374.550 4.123 20 0 FIADHO CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000236629906 1088967395 /nfs/dbraw/zinc/96/73/95/1088967395.db2.gz CHEPTCZPLGJSEZ-UHFFFAOYSA-N 1 3 360.933 4.081 20 0 FIADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(N)CCCCCC1 ZINC000414860065 1088972261 /nfs/dbraw/zinc/97/22/61/1088972261.db2.gz OCLNFNLVKSGULC-CQSZACIVSA-N 1 3 371.447 4.064 20 0 FIADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000189018383 1089034052 /nfs/dbraw/zinc/03/40/52/1089034052.db2.gz XGCXKOFLKQHLAS-FOJYNEPKSA-N 1 3 369.597 4.062 20 0 FIADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000189018383 1089034069 /nfs/dbraw/zinc/03/40/69/1089034069.db2.gz XGCXKOFLKQHLAS-FOJYNEPKSA-N 1 3 369.597 4.062 20 0 FIADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415090455 1089142730 /nfs/dbraw/zinc/14/27/30/1089142730.db2.gz OUZSMHLPZFZJHE-FGZHOGPDSA-N 1 3 360.505 4.072 20 0 FIADHO C[C@@H]1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000549236937 1089309365 /nfs/dbraw/zinc/30/93/65/1089309365.db2.gz IQBLJMBOHYODJC-UDMCKFQASA-N 1 3 356.554 4.080 20 0 FIADHO CCc1onc(C)c1CNCc1ccccc1CN(C)Cc1ccco1 ZINC000893019337 1089674668 /nfs/dbraw/zinc/67/46/68/1089674668.db2.gz RJGFAXWFTWBSDE-UHFFFAOYSA-N 1 3 353.466 4.060 20 0 FIADHO CCc1onc(C)c1CNCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000893019337 1089674679 /nfs/dbraw/zinc/67/46/79/1089674679.db2.gz RJGFAXWFTWBSDE-UHFFFAOYSA-N 1 3 353.466 4.060 20 0 FIADHO CCc1onc(C)c1CNCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000893019337 1089674688 /nfs/dbraw/zinc/67/46/88/1089674688.db2.gz RJGFAXWFTWBSDE-UHFFFAOYSA-N 1 3 353.466 4.060 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000163782038 1089783696 /nfs/dbraw/zinc/78/36/96/1089783696.db2.gz YNOXVWFEPUOHCI-CRICUBBOSA-N 1 3 358.551 4.117 20 0 FIADHO C[N@@H+]1CC[C@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402550 1090232953 /nfs/dbraw/zinc/23/29/53/1090232953.db2.gz DDPJXODTPNFWID-PGRDOPGGSA-N 1 3 356.460 4.123 20 0 FIADHO C[N@H+]1CC[C@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402550 1090232956 /nfs/dbraw/zinc/23/29/56/1090232956.db2.gz DDPJXODTPNFWID-PGRDOPGGSA-N 1 3 356.460 4.123 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000163937409 1090280323 /nfs/dbraw/zinc/28/03/23/1090280323.db2.gz BICOZYLOIZBTHV-QYBDOPJKSA-N 1 3 370.562 4.261 20 0 FIADHO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000382072934 1090431247 /nfs/dbraw/zinc/43/12/47/1090431247.db2.gz ZXLXFFQFJJLFDY-KNQAVFIVSA-N 1 3 352.522 4.474 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310967 1090805673 /nfs/dbraw/zinc/80/56/73/1090805673.db2.gz LELUWSLBEXWJAN-AYWYSENESA-N 1 3 354.563 4.394 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000236863204 1090974735 /nfs/dbraw/zinc/97/47/35/1090974735.db2.gz ZNNKSJYPMXSBQL-KBXCAEBGSA-N 1 3 359.341 4.220 20 0 FIADHO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086769 1091029514 /nfs/dbraw/zinc/02/95/14/1091029514.db2.gz DQTKVMDTCRIDQP-PZJWPPBQSA-N 1 3 361.574 4.031 20 0 FIADHO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086769 1091029522 /nfs/dbraw/zinc/02/95/22/1091029522.db2.gz DQTKVMDTCRIDQP-PZJWPPBQSA-N 1 3 361.574 4.031 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098523 1091036488 /nfs/dbraw/zinc/03/64/88/1091036488.db2.gz MPKREJSHPISINB-RBUKOAKNSA-N 1 3 365.993 4.180 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098523 1091036495 /nfs/dbraw/zinc/03/64/95/1091036495.db2.gz MPKREJSHPISINB-RBUKOAKNSA-N 1 3 365.993 4.180 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098521 1091036935 /nfs/dbraw/zinc/03/69/35/1091036935.db2.gz MPKREJSHPISINB-OALUTQOASA-N 1 3 365.993 4.180 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098521 1091036943 /nfs/dbraw/zinc/03/69/43/1091036943.db2.gz MPKREJSHPISINB-OALUTQOASA-N 1 3 365.993 4.180 20 0 FIADHO CC[NH+]1CCC(N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000500115923 1091047069 /nfs/dbraw/zinc/04/70/69/1091047069.db2.gz VXWHWAUHSWCSIP-HSZRJFAPSA-N 1 3 368.521 4.062 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)CCN1C ZINC000390519701 1091162683 /nfs/dbraw/zinc/16/26/83/1091162683.db2.gz FSMVHZYGHNLXAZ-QPPBQGQZSA-N 1 3 365.565 4.151 20 0 FIADHO O[C@@H](CN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759848990 1091315741 /nfs/dbraw/zinc/31/57/41/1091315741.db2.gz MTPYSZQNQLRVRV-FQEVSTJZSA-N 1 3 368.924 4.101 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000187377346 1091878603 /nfs/dbraw/zinc/87/86/03/1091878603.db2.gz RRSYBIGFBYGNEY-NJYVYQBISA-N 1 3 374.594 4.198 20 0 FIADHO C[C@@H]1CC(NC[C@H]2Cc3ccccc3O2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011932 1092309232 /nfs/dbraw/zinc/30/92/32/1092309232.db2.gz UJFDDQINVYCORQ-JBYIUTFZSA-N 1 3 350.506 4.021 20 0 FIADHO C[C@@H]1CC([NH+]2C(C)(C)CC(N)CC2(C)C)C[C@@H](C)N1Cc1ccccc1 ZINC001168012461 1092339334 /nfs/dbraw/zinc/33/93/34/1092339334.db2.gz ANVXJIAWGSJMRN-QZTJIDSGSA-N 1 3 357.586 4.408 20 0 FIADHO COc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306336 1092632556 /nfs/dbraw/zinc/63/25/56/1092632556.db2.gz JUQXSHKGYUQPAQ-QGZVFWFLSA-N 1 3 374.550 4.076 20 0 FIADHO COc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306336 1092632565 /nfs/dbraw/zinc/63/25/65/1092632565.db2.gz JUQXSHKGYUQPAQ-QGZVFWFLSA-N 1 3 374.550 4.076 20 0 FIADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2)s1 ZINC000442869733 1092817385 /nfs/dbraw/zinc/81/73/85/1092817385.db2.gz FFDVAFFJIHERIX-QGZVFWFLSA-N 1 3 357.567 4.092 20 0 FIADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(-c2ccccc2)c1 ZINC000442894474 1092847933 /nfs/dbraw/zinc/84/79/33/1092847933.db2.gz ZOBRGLNIPRBFEU-LJQANCHMSA-N 1 3 351.538 4.030 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(OCc3ccc(F)cc3)cc1)C2 ZINC000512563214 1092932644 /nfs/dbraw/zinc/93/26/44/1092932644.db2.gz CSVVMFDNBJXUGQ-CBQGHPETSA-N 1 3 368.496 4.462 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(OCc3ccc(F)cc3)cc1)C2 ZINC000512563214 1092932649 /nfs/dbraw/zinc/93/26/49/1092932649.db2.gz CSVVMFDNBJXUGQ-CBQGHPETSA-N 1 3 368.496 4.462 20 0 FIADHO Cc1ccccc1[C@H]([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000443193773 1092984112 /nfs/dbraw/zinc/98/41/12/1092984112.db2.gz NDLLPFLYWGUUIX-CVDCTZTESA-N 1 3 357.586 4.373 20 0 FIADHO C[C@@H]1C[C@@H](NCC[C@H](O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015832 1093039168 /nfs/dbraw/zinc/03/91/68/1093039168.db2.gz SMWQPCYCNSNXRW-YDLSIGKMSA-N 1 3 352.522 4.141 20 0 FIADHO C[C@@H]1C[C@@H](NCC[C@H](O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015832 1093039173 /nfs/dbraw/zinc/03/91/73/1093039173.db2.gz SMWQPCYCNSNXRW-YDLSIGKMSA-N 1 3 352.522 4.141 20 0 FIADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000512634890 1093050657 /nfs/dbraw/zinc/05/06/57/1093050657.db2.gz FSQFWOPKHYGXKU-CWKRKGSWSA-N 1 3 370.581 4.066 20 0 FIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccccc1OCC[NH+](C)C ZINC000474056067 1093159322 /nfs/dbraw/zinc/15/93/22/1093159322.db2.gz MGBRHMLRTQVCSR-OAQYLSRUSA-N 1 3 368.521 4.148 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168018137 1093164489 /nfs/dbraw/zinc/16/44/89/1093164489.db2.gz BTBONRNAFDYIRU-YVHKJVDXSA-N 1 3 372.940 4.405 20 0 FIADHO c1ccc(N2CCC[C@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000433093516 1093236582 /nfs/dbraw/zinc/23/65/82/1093236582.db2.gz QYDUQJFQOIGPHH-HXUWFJFHSA-N 1 3 355.570 4.290 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C[C@@H](C)N1Cc1ccccc1 ZINC001168022651 1093312883 /nfs/dbraw/zinc/31/28/83/1093312883.db2.gz AVOOOVGUTFYMBP-QPJZEMMPSA-N 1 3 355.570 4.033 20 0 FIADHO Cc1ccn(C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000411687266 1093417743 /nfs/dbraw/zinc/41/77/43/1093417743.db2.gz MDJZPNGICZAMTJ-UHFFFAOYSA-N 1 3 352.526 4.015 20 0 FIADHO COC[C@H](Cc1ccccc1)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025322 1093431904 /nfs/dbraw/zinc/43/19/04/1093431904.db2.gz JJFKGNNSVATDHC-SKPFHBQLSA-N 1 3 366.549 4.275 20 0 FIADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCCN1C1CCCC1 ZINC000433319449 1093579191 /nfs/dbraw/zinc/57/91/91/1093579191.db2.gz OLPNWPQBTMBRAR-JOCHJYFZSA-N 1 3 369.553 4.061 20 0 FIADHO COCCC[NH+]1CCC(N[C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191712573 1093747970 /nfs/dbraw/zinc/74/79/70/1093747970.db2.gz BFJWEYYWWOOSRC-HSZRJFAPSA-N 1 3 370.512 4.200 20 0 FIADHO C[C@H]1CC(NCC[C@@H](O)c2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168035071 1093791860 /nfs/dbraw/zinc/79/18/60/1093791860.db2.gz SMWQPCYCNSNXRW-SFYKDHMMSA-N 1 3 352.522 4.141 20 0 FIADHO COCc1ccccc1/C=C(\C)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513337691 1094064344 /nfs/dbraw/zinc/06/43/44/1094064344.db2.gz JMDUIDIDWBMCCU-VOSMRYOYSA-N 1 3 364.533 4.348 20 0 FIADHO COCc1ccccc1/C=C(\C)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337691 1094064351 /nfs/dbraw/zinc/06/43/51/1094064351.db2.gz JMDUIDIDWBMCCU-VOSMRYOYSA-N 1 3 364.533 4.348 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474596994 1094376629 /nfs/dbraw/zinc/37/66/29/1094376629.db2.gz IHBMSHGEOMAMJQ-BRSBDYLESA-N 1 3 352.950 4.311 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000501006089 1094416504 /nfs/dbraw/zinc/41/65/04/1094416504.db2.gz FJOVEDQTCDCDMJ-QFIPXVFZSA-N 1 3 361.549 4.063 20 0 FIADHO CC(C)c1ccc(C[C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000501030363 1094430042 /nfs/dbraw/zinc/43/00/42/1094430042.db2.gz UTJPGYTVRRLGKD-HSZRJFAPSA-N 1 3 371.613 4.091 20 0 FIADHO CC(C)c1ccc(C[C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000501030363 1094430044 /nfs/dbraw/zinc/43/00/44/1094430044.db2.gz UTJPGYTVRRLGKD-HSZRJFAPSA-N 1 3 371.613 4.091 20 0 FIADHO C[C@@H]1CC([NH2+][C@H]2CCc3c2cccc3O)C[C@@H](C)N1Cc1ccccc1 ZINC001168040206 1094497117 /nfs/dbraw/zinc/49/71/17/1094497117.db2.gz KZSIOIHMLYFVHV-YVHKJVDXSA-N 1 3 350.506 4.411 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501135533 1094524001 /nfs/dbraw/zinc/52/40/01/1094524001.db2.gz PKCQDAPGMWBBOE-KRWDZBQOSA-N 1 3 371.491 4.114 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501135533 1094524013 /nfs/dbraw/zinc/52/40/13/1094524013.db2.gz PKCQDAPGMWBBOE-KRWDZBQOSA-N 1 3 371.491 4.114 20 0 FIADHO Fc1ccc(C(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404008 1094696455 /nfs/dbraw/zinc/69/64/55/1094696455.db2.gz FDRAPBHRRPYMRL-RTWAWAEBSA-N 1 3 356.460 4.313 20 0 FIADHO Fc1ccc(C(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404008 1094696461 /nfs/dbraw/zinc/69/64/61/1094696461.db2.gz FDRAPBHRRPYMRL-RTWAWAEBSA-N 1 3 356.460 4.313 20 0 FIADHO COc1ccc([C@H](C[NH3+])CN[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000420416906 1094913910 /nfs/dbraw/zinc/91/39/10/1094913910.db2.gz WAXHYJDNMNBJSY-UKRRQHHQSA-N 1 3 352.400 4.107 20 0 FIADHO CC(C)C[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000474935485 1094934247 /nfs/dbraw/zinc/93/42/47/1094934247.db2.gz VEOCRKZRYNZNJU-QHCPKHFHSA-N 1 3 371.613 4.166 20 0 FIADHO FC(F)(F)c1ncc(CNCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000443988752 1095588237 /nfs/dbraw/zinc/58/82/37/1095588237.db2.gz JSSADKYEYKSGMB-UHFFFAOYSA-N 1 3 369.456 4.164 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000503162527 1096100984 /nfs/dbraw/zinc/10/09/84/1096100984.db2.gz VBAUMFGEYBXHRI-YRXWBPOGSA-N 1 3 357.542 4.261 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000503162527 1096100988 /nfs/dbraw/zinc/10/09/88/1096100988.db2.gz VBAUMFGEYBXHRI-YRXWBPOGSA-N 1 3 357.542 4.261 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000503162526 1096101258 /nfs/dbraw/zinc/10/12/58/1096101258.db2.gz VBAUMFGEYBXHRI-XWSJACJDSA-N 1 3 357.542 4.261 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000503162526 1096101265 /nfs/dbraw/zinc/10/12/65/1096101265.db2.gz VBAUMFGEYBXHRI-XWSJACJDSA-N 1 3 357.542 4.261 20 0 FIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3=CCN(C)CC3)s2)cc1 ZINC000271817147 1096131091 /nfs/dbraw/zinc/13/10/91/1096131091.db2.gz BSGUNQHTZLXYGZ-AWEZNQCLSA-N 1 3 357.523 4.040 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000422710987 1096459837 /nfs/dbraw/zinc/45/98/37/1096459837.db2.gz METPSSDPVMCIBD-QRWLVFNGSA-N 1 3 359.489 4.132 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000422710985 1096460123 /nfs/dbraw/zinc/46/01/23/1096460123.db2.gz METPSSDPVMCIBD-FOIQADDNSA-N 1 3 359.489 4.132 20 0 FIADHO Cc1[nH]c2ccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2c1C ZINC000422724316 1096472924 /nfs/dbraw/zinc/47/29/24/1096472924.db2.gz VIALQVBLFMPTRJ-JTHBVZDNSA-N 1 3 361.489 4.130 20 0 FIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(-c2ccncc2)cc1 ZINC000422754794 1096483941 /nfs/dbraw/zinc/48/39/41/1096483941.db2.gz ATTZZNFQFNTTNW-UPVQGACJSA-N 1 3 371.484 4.094 20 0 FIADHO CSc1cccc([C@H](N[C@H](C)CCC[NH3+])c2cc(F)ccc2F)c1 ZINC000422785355 1096489962 /nfs/dbraw/zinc/48/99/62/1096489962.db2.gz JKTBDKCVVVSARW-YJYMSZOUSA-N 1 3 350.478 4.493 20 0 FIADHO CC(C)Oc1cccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422879458 1096510809 /nfs/dbraw/zinc/51/08/09/1096510809.db2.gz KNIWLESRRUCGLG-LXBDKUERSA-N 1 3 366.505 4.380 20 0 FIADHO Clc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422906536 1096520238 /nfs/dbraw/zinc/52/02/38/1096520238.db2.gz KCWJCIDKPJHSJK-BHDDXSALSA-N 1 3 370.924 4.254 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422936969 1096528979 /nfs/dbraw/zinc/52/89/79/1096528979.db2.gz NJCTZPFMTPGZIA-QWHCGFSZSA-N 1 3 351.416 4.149 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000422954626 1096539077 /nfs/dbraw/zinc/53/90/77/1096539077.db2.gz JKKFPFJPNGILLM-DIFFPNOSSA-N 1 3 350.293 4.494 20 0 FIADHO Cc1cc([C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)ccc1F ZINC000423009857 1096549116 /nfs/dbraw/zinc/54/91/16/1096549116.db2.gz FEQPAABCBBNGHC-WWNPGLIZSA-N 1 3 366.480 4.431 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423066828 1096562299 /nfs/dbraw/zinc/56/22/99/1096562299.db2.gz FKGISMPIBNHSLJ-ZDUSSCGKSA-N 1 3 365.443 4.496 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423077654 1096565964 /nfs/dbraw/zinc/56/59/64/1096565964.db2.gz MNTXFWXNKUDGLF-CQSZACIVSA-N 1 3 359.464 4.290 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423113088 1096586175 /nfs/dbraw/zinc/58/61/75/1096586175.db2.gz YIVXSSRVGYSJLT-SPLOXXLWSA-N 1 3 373.928 4.321 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423164846 1096599467 /nfs/dbraw/zinc/59/94/67/1096599467.db2.gz TUICRSQWJMEPQV-HNNXBMFYSA-N 1 3 359.464 4.143 20 0 FIADHO COc1cc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000423293827 1096643449 /nfs/dbraw/zinc/64/34/49/1096643449.db2.gz SDLCTNDBAJJQDS-OLZOCXBDSA-N 1 3 350.409 4.167 20 0 FIADHO CCCC[C@H](C[NH3+])N[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298607 1096644188 /nfs/dbraw/zinc/64/41/88/1096644188.db2.gz OTPPVXRSFRUNBR-MSOLQXFVSA-N 1 3 369.347 4.024 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423297291 1096644636 /nfs/dbraw/zinc/64/46/36/1096644636.db2.gz JQRCOFLPIRCRBF-MNOVXSKESA-N 1 3 368.344 4.126 20 0 FIADHO CCOc1ccc([C@H](CC)NCc2ccc3c(c2)C[NH2+]C3)cc1OCC ZINC000423386010 1096662350 /nfs/dbraw/zinc/66/23/50/1096662350.db2.gz LRNGUCPYVGDMQT-FQEVSTJZSA-N 1 3 354.494 4.328 20 0 FIADHO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414739237 1096668555 /nfs/dbraw/zinc/66/85/55/1096668555.db2.gz PXUZRDQLVRJUMJ-KBPBESRZSA-N 1 3 372.340 4.032 20 0 FIADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000423508803 1096702644 /nfs/dbraw/zinc/70/26/44/1096702644.db2.gz OFBODZWTIFUPHH-IDHHARJASA-N 1 3 359.311 4.256 20 0 FIADHO CCCO[C@H]1CCCN(CC(C)C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280629 1098944875 /nfs/dbraw/zinc/94/48/75/1098944875.db2.gz LRGIUMLOLVNAOK-VXKWHMMOSA-N 1 3 368.606 4.185 20 0 FIADHO CCCO[C@H]1CCCN(CC(C)C[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280629 1098944876 /nfs/dbraw/zinc/94/48/76/1098944876.db2.gz LRGIUMLOLVNAOK-VXKWHMMOSA-N 1 3 368.606 4.185 20 0 FIADHO c1ccc(-c2ccccc2CNCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000729686894 1099004930 /nfs/dbraw/zinc/00/49/30/1099004930.db2.gz KWFGLQKLFDKPCT-UHFFFAOYSA-N 1 3 350.506 4.088 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000079919043 1099863166 /nfs/dbraw/zinc/86/31/66/1099863166.db2.gz HIZTVQVPTSZPNG-UHFFFAOYSA-N 1 3 352.482 4.108 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000079919043 1099863186 /nfs/dbraw/zinc/86/31/86/1099863186.db2.gz HIZTVQVPTSZPNG-UHFFFAOYSA-N 1 3 352.482 4.108 20 0 FIADHO CO[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721164 1099939129 /nfs/dbraw/zinc/93/91/29/1099939129.db2.gz UANVVRIKQWTLBG-RBDMOPTHSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721164 1099939133 /nfs/dbraw/zinc/93/91/33/1099939133.db2.gz UANVVRIKQWTLBG-RBDMOPTHSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721164 1099939134 /nfs/dbraw/zinc/93/91/34/1099939134.db2.gz UANVVRIKQWTLBG-RBDMOPTHSA-N 1 3 356.485 4.013 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437580611 1099997888 /nfs/dbraw/zinc/99/78/88/1099997888.db2.gz NUOCGBOOVJFIFL-UHFFFAOYSA-N 1 3 372.532 4.014 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437580611 1099997890 /nfs/dbraw/zinc/99/78/90/1099997890.db2.gz NUOCGBOOVJFIFL-UHFFFAOYSA-N 1 3 372.532 4.014 20 0 FIADHO CCCOc1c(Cl)cc(CN2CCC3(C2)CC[NH2+]CC3)cc1OCC ZINC000261947319 1100126217 /nfs/dbraw/zinc/12/62/17/1100126217.db2.gz FNAHCFPPAOLKMT-UHFFFAOYSA-N 1 3 366.933 4.103 20 0 FIADHO Fc1cc(Br)cc([C@H](NC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC000459507645 1100261452 /nfs/dbraw/zinc/26/14/52/1100261452.db2.gz WIQQNPZPHQIQSF-GOSISDBHSA-N 1 3 367.306 4.256 20 0 FIADHO Fc1cc(C(F)(F)F)c(F)cc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000459567451 1100317109 /nfs/dbraw/zinc/31/71/09/1100317109.db2.gz VYTWGZAUHBOZDR-UHFFFAOYSA-N 1 3 371.353 4.137 20 0 FIADHO CC[NH+]1CCC(N[C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426324060 1101272022 /nfs/dbraw/zinc/27/20/22/1101272022.db2.gz OYWOICCTJGIATH-KRWDZBQOSA-N 1 3 351.332 4.146 20 0 FIADHO CN1CCC[C@H]1CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439325026 1101347490 /nfs/dbraw/zinc/34/74/90/1101347490.db2.gz HRCGLBOUEZFNQV-SFHVURJKSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2cccc(Br)c2)CC1 ZINC000439325026 1101347505 /nfs/dbraw/zinc/34/75/05/1101347505.db2.gz HRCGLBOUEZFNQV-SFHVURJKSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2cccc(Br)c2)CC1 ZINC000439325026 1101347518 /nfs/dbraw/zinc/34/75/18/1101347518.db2.gz HRCGLBOUEZFNQV-SFHVURJKSA-N 1 3 351.332 4.113 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000537104860 1101451167 /nfs/dbraw/zinc/45/11/67/1101451167.db2.gz XQFAYWSPEYLCGO-HXUWFJFHSA-N 1 3 374.912 4.284 20 0 FIADHO COc1cc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1OCC(C)C ZINC000537108125 1101475797 /nfs/dbraw/zinc/47/57/97/1101475797.db2.gz DCOYETOKMWLZEX-KRWDZBQOSA-N 1 3 360.542 4.255 20 0 FIADHO CCOc1cccc2cc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000537303644 1101627782 /nfs/dbraw/zinc/62/77/82/1101627782.db2.gz HEBAGZGGBGXKII-KSZLIROESA-N 1 3 374.525 4.372 20 0 FIADHO CCOc1cccc2cc([C@H](C)[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)oc21 ZINC000537303638 1101627968 /nfs/dbraw/zinc/62/79/68/1101627968.db2.gz HEBAGZGGBGXKII-BZSNNMDCSA-N 1 3 374.525 4.372 20 0 FIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131448 1101970992 /nfs/dbraw/zinc/97/09/92/1101970992.db2.gz JSDIMCHOSGUVEE-WFXMLNOXSA-N 1 3 366.505 4.019 20 0 FIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131448 1101970996 /nfs/dbraw/zinc/97/09/96/1101970996.db2.gz JSDIMCHOSGUVEE-WFXMLNOXSA-N 1 3 366.505 4.019 20 0 FIADHO Cc1ccc2c(ccc(C)c2CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC001168284803 1102158206 /nfs/dbraw/zinc/15/82/06/1102158206.db2.gz NUGWBBOJSAKTFP-UEVCKROQSA-N 1 3 352.522 4.140 20 0 FIADHO CC(C)(C)c1ccncc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666417192 1102191947 /nfs/dbraw/zinc/19/19/47/1102191947.db2.gz BWYNGASTNRLFNI-UHFFFAOYSA-N 1 3 367.537 4.144 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000415012835 1102248938 /nfs/dbraw/zinc/24/89/38/1102248938.db2.gz XRYDZVWRFGZCPO-ATLSCFEFSA-N 1 3 358.423 4.230 20 0 FIADHO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120964415 1102290761 /nfs/dbraw/zinc/29/07/61/1102290761.db2.gz IHJQBJZROUVSGQ-CYBMUJFWSA-N 1 3 350.865 4.400 20 0 FIADHO C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1OC(F)F ZINC000120973065 1102292142 /nfs/dbraw/zinc/29/21/42/1102292142.db2.gz UIZANEFSBREMLM-GFCCVEGCSA-N 1 3 370.390 4.479 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1OC(F)F ZINC000120973065 1102292152 /nfs/dbraw/zinc/29/21/52/1102292152.db2.gz UIZANEFSBREMLM-GFCCVEGCSA-N 1 3 370.390 4.479 20 0 FIADHO c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969254 1102365774 /nfs/dbraw/zinc/36/57/74/1102365774.db2.gz AVFGZPBVHHZWGC-WVUPVLJSSA-N 1 3 354.538 4.149 20 0 FIADHO c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969254 1102365786 /nfs/dbraw/zinc/36/57/86/1102365786.db2.gz AVFGZPBVHHZWGC-WVUPVLJSSA-N 1 3 354.538 4.149 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000532514567 1102449900 /nfs/dbraw/zinc/44/99/00/1102449900.db2.gz WMOKQMDBZVLXOS-OAQYLSRUSA-N 1 3 364.961 4.347 20 0 FIADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1)C(C)C ZINC000116547724 1102621617 /nfs/dbraw/zinc/62/16/17/1102621617.db2.gz JJHUWAAHMLPKRG-UHFFFAOYSA-N 1 3 367.537 4.125 20 0 FIADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1)C(C)C ZINC000116547724 1102621624 /nfs/dbraw/zinc/62/16/24/1102621624.db2.gz JJHUWAAHMLPKRG-UHFFFAOYSA-N 1 3 367.537 4.125 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ccn1 ZINC000550889756 1102661932 /nfs/dbraw/zinc/66/19/32/1102661932.db2.gz CZSLAWDJDWZNAK-QRVBRYPASA-N 1 3 367.537 4.419 20 0 FIADHO Cc1noc(C)c1C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245652430 1103309149 /nfs/dbraw/zinc/30/91/49/1103309149.db2.gz CSYDHKLPYCEYCN-FCRQHZQGSA-N 1 3 353.510 4.008 20 0 FIADHO Cc1noc(C)c1C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652430 1103309166 /nfs/dbraw/zinc/30/91/66/1103309166.db2.gz CSYDHKLPYCEYCN-FCRQHZQGSA-N 1 3 353.510 4.008 20 0 FIADHO COC[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000538206176 1104048550 /nfs/dbraw/zinc/04/85/50/1104048550.db2.gz GZSSZVKAYYMOIN-QINHECLXSA-N 1 3 354.485 4.000 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1O2 ZINC000538293222 1104110020 /nfs/dbraw/zinc/11/00/20/1104110020.db2.gz JDIURYJKZLMPLX-FQEVSTJZSA-N 1 3 372.459 4.085 20 0 FIADHO Fc1ccc(COC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995590 1104525174 /nfs/dbraw/zinc/52/51/74/1104525174.db2.gz KDKMOSJWHODATR-CBQGHPETSA-N 1 3 372.528 4.212 20 0 FIADHO Fc1ccc(COC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995590 1104525183 /nfs/dbraw/zinc/52/51/83/1104525183.db2.gz KDKMOSJWHODATR-CBQGHPETSA-N 1 3 372.528 4.212 20 0 FIADHO Fc1ccc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168004260 1105029539 /nfs/dbraw/zinc/02/95/39/1105029539.db2.gz SAJSREHWUUXMQB-CBQGHPETSA-N 1 3 372.528 4.322 20 0 FIADHO Fc1ccc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168004260 1105029545 /nfs/dbraw/zinc/02/95/45/1105029545.db2.gz SAJSREHWUUXMQB-CBQGHPETSA-N 1 3 372.528 4.322 20 0 FIADHO Fc1ccc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001168004260 1105029551 /nfs/dbraw/zinc/02/95/51/1105029551.db2.gz SAJSREHWUUXMQB-CBQGHPETSA-N 1 3 372.528 4.322 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152394578 1105075843 /nfs/dbraw/zinc/07/58/43/1105075843.db2.gz QEVKVYHOLCHCOX-QAPCUYQASA-N 1 3 353.535 4.261 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394578 1105075847 /nfs/dbraw/zinc/07/58/47/1105075847.db2.gz QEVKVYHOLCHCOX-QAPCUYQASA-N 1 3 353.535 4.261 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2COc3ccccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005195 1105076423 /nfs/dbraw/zinc/07/64/23/1105076423.db2.gz HUDSRRRUDKSMTR-UDKICSLYSA-N 1 3 350.506 4.021 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2COc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005195 1105076424 /nfs/dbraw/zinc/07/64/24/1105076424.db2.gz HUDSRRRUDKSMTR-UDKICSLYSA-N 1 3 350.506 4.021 20 0 FIADHO Cc1ccccc1C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000152405682 1105088018 /nfs/dbraw/zinc/08/80/18/1105088018.db2.gz PTOIHLUVDUKBHS-UHFFFAOYSA-N 1 3 370.581 4.430 20 0 FIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152406779 1105088318 /nfs/dbraw/zinc/08/83/18/1105088318.db2.gz AIKTVXSDKUICLE-QZTJIDSGSA-N 1 3 350.506 4.497 20 0 FIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406779 1105088324 /nfs/dbraw/zinc/08/83/24/1105088324.db2.gz AIKTVXSDKUICLE-QZTJIDSGSA-N 1 3 350.506 4.497 20 0 FIADHO C[C@H]1CC(NCCN(C)c2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008135 1105161215 /nfs/dbraw/zinc/16/12/15/1105161215.db2.gz CVHVMCQBACKHKZ-PMACEKPBSA-N 1 3 351.538 4.154 20 0 FIADHO C[C@@H]1C[C@@H](NCCN(C)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008136 1105161965 /nfs/dbraw/zinc/16/19/65/1105161965.db2.gz CVHVMCQBACKHKZ-VTYHHJSWSA-N 1 3 351.538 4.154 20 0 FIADHO C[C@@H]1C[C@@H](NCCN(C)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008136 1105161976 /nfs/dbraw/zinc/16/19/76/1105161976.db2.gz CVHVMCQBACKHKZ-VTYHHJSWSA-N 1 3 351.538 4.154 20 0 FIADHO CCN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000665193458 1105197910 /nfs/dbraw/zinc/19/79/10/1105197910.db2.gz YIVJENNLQJZCLH-FQEVSTJZSA-N 1 3 372.557 4.009 20 0 FIADHO CCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000665193458 1105197911 /nfs/dbraw/zinc/19/79/11/1105197911.db2.gz YIVJENNLQJZCLH-FQEVSTJZSA-N 1 3 372.557 4.009 20 0 FIADHO COc1ccc(OCCNC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168009936 1105228070 /nfs/dbraw/zinc/22/80/70/1105228070.db2.gz IPWLDQXXUOPEBQ-OALUTQOASA-N 1 3 368.521 4.105 20 0 FIADHO C[C@@H]1C[C@@H](NCCOCc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168010057 1105230977 /nfs/dbraw/zinc/23/09/77/1105230977.db2.gz IZZJFTKMKVWJGB-JHDGKUDLSA-N 1 3 352.522 4.234 20 0 FIADHO C[C@@H]1C[C@@H](NCCOCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168010057 1105230981 /nfs/dbraw/zinc/23/09/81/1105230981.db2.gz IZZJFTKMKVWJGB-JHDGKUDLSA-N 1 3 352.522 4.234 20 0 FIADHO CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1O ZINC000390666214 1106739189 /nfs/dbraw/zinc/73/91/89/1106739189.db2.gz QXZWSXVYJVGOQW-SEJPIABJSA-N 1 3 366.505 4.076 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CCC([NH+](C)C)CC2)c1C ZINC000301379669 1107010672 /nfs/dbraw/zinc/01/06/72/1107010672.db2.gz YDWRRDLGTHYZGL-UHFFFAOYSA-N 1 3 362.315 4.145 20 0 FIADHO Cc1ccc2nccc(N3CCC([NH2+]CCOc4ccccc4)CC3)c2c1 ZINC000302148543 1107316850 /nfs/dbraw/zinc/31/68/50/1107316850.db2.gz JDNQHCCHNWMJRG-UHFFFAOYSA-N 1 3 361.489 4.181 20 0 FIADHO C[C@H](CNC1CC([NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000475566002 1107752629 /nfs/dbraw/zinc/75/26/29/1107752629.db2.gz GACHJSOBUXUIQW-RWBZWWBESA-N 1 3 351.332 4.159 20 0 FIADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@@H](C)C1 ZINC000531683155 1108070535 /nfs/dbraw/zinc/07/05/35/1108070535.db2.gz XHNADAZFYWOTJY-ICSRJNTNSA-N 1 3 353.510 4.311 20 0 FIADHO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2sccc21 ZINC000453122988 1108189925 /nfs/dbraw/zinc/18/99/25/1108189925.db2.gz FLOUBWVQRUGDRX-KKSFZXQISA-N 1 3 370.562 4.433 20 0 FIADHO C[C@H]1CC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2sccc21 ZINC000453122988 1108189933 /nfs/dbraw/zinc/18/99/33/1108189933.db2.gz FLOUBWVQRUGDRX-KKSFZXQISA-N 1 3 370.562 4.433 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000531941962 1108383726 /nfs/dbraw/zinc/38/37/26/1108383726.db2.gz ALBCRHFLPJMWRT-QGZVFWFLSA-N 1 3 363.505 4.018 20 0 FIADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000524876258 1109188123 /nfs/dbraw/zinc/18/81/23/1109188123.db2.gz QUDXRJRBHHAWQT-NRFANRHFSA-N 1 3 373.585 4.012 20 0 FIADHO CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000447546301 1109575390 /nfs/dbraw/zinc/57/53/90/1109575390.db2.gz USWDOJDHIOLLCA-CIAFKFPVSA-N 1 3 369.578 4.136 20 0 FIADHO CC[NH+](CC)CCOC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000527048367 1109680139 /nfs/dbraw/zinc/68/01/39/1109680139.db2.gz TXOYPYMYQWOXCQ-WAYWQWQTSA-N 1 3 350.934 4.176 20 0 FIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(F)c(Br)cc1F ZINC000527900184 1109857020 /nfs/dbraw/zinc/85/70/20/1109857020.db2.gz XNQBQGIITGQQDB-LLVKDONJSA-N 1 3 373.285 4.252 20 0 FIADHO CC(C)c1noc(CCCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449121546 1109980225 /nfs/dbraw/zinc/98/02/25/1109980225.db2.gz IEZNNYZPUDZYKF-UHFFFAOYSA-N 1 3 364.578 4.394 20 0 FIADHO COC[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143886 1109985002 /nfs/dbraw/zinc/98/50/02/1109985002.db2.gz YANZVHBNWQQUNB-CVDCTZTESA-N 1 3 352.522 4.059 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2c(c1)OCCCCO2 ZINC000449221109 1110000762 /nfs/dbraw/zinc/00/07/62/1110000762.db2.gz SEMVHRVIZLGHIE-UHFFFAOYSA-N 1 3 368.521 4.368 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2c(c1)OCCCCO2 ZINC000449221109 1110000766 /nfs/dbraw/zinc/00/07/66/1110000766.db2.gz SEMVHRVIZLGHIE-UHFFFAOYSA-N 1 3 368.521 4.368 20 0 FIADHO CO[C@@H](CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(F)(F)F ZINC000449270382 1110012024 /nfs/dbraw/zinc/01/20/24/1110012024.db2.gz QLYGSNKQMIVBJS-HNNXBMFYSA-N 1 3 352.485 4.223 20 0 FIADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000538396706 1111122921 /nfs/dbraw/zinc/12/29/21/1111122921.db2.gz VJZCAQMPUMTEMD-AWEZNQCLSA-N 1 3 369.347 4.230 20 0 FIADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000538409036 1111129590 /nfs/dbraw/zinc/12/95/90/1111129590.db2.gz AUTFZFKDQKJTMX-YTFSRNRJSA-N 1 3 356.554 4.275 20 0 FIADHO FC(F)(F)Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359506 1111205343 /nfs/dbraw/zinc/20/53/43/1111205343.db2.gz AVQBWVAYTCDBTF-QGZVFWFLSA-N 1 3 354.416 4.037 20 0 FIADHO CCCN1CCC([NH2+][C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539296729 1111506438 /nfs/dbraw/zinc/50/64/38/1111506438.db2.gz KGSLQOLNNHKDBE-WOJBJXKFSA-N 1 3 367.940 4.078 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1O2 ZINC000539368387 1111532774 /nfs/dbraw/zinc/53/27/74/1111532774.db2.gz QBZQDNYTBOAVAJ-HXUWFJFHSA-N 1 3 370.924 4.460 20 0 FIADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000552047407 1111556799 /nfs/dbraw/zinc/55/67/99/1111556799.db2.gz LSHLZZNXLVEDNJ-NZQKXSOJSA-N 1 3 367.537 4.084 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000552047408 1111557124 /nfs/dbraw/zinc/55/71/24/1111557124.db2.gz LSHLZZNXLVEDNJ-OFNKIYASSA-N 1 3 367.537 4.084 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000552224173 1111624212 /nfs/dbraw/zinc/62/42/12/1111624212.db2.gz LVYRVQNTIGRCPE-XXBNENTESA-N 1 3 367.537 4.086 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479356175 1111997625 /nfs/dbraw/zinc/99/76/25/1111997625.db2.gz DVNABYOSTFMRDD-QGZVFWFLSA-N 1 3 351.332 4.245 20 0 FIADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000479465788 1112034390 /nfs/dbraw/zinc/03/43/90/1112034390.db2.gz PXPNPRJMPSYHFX-GHTZIAJQSA-N 1 3 354.469 4.151 20 0 FIADHO CCCN(CCC1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000479671538 1112103148 /nfs/dbraw/zinc/10/31/48/1112103148.db2.gz ADISOUFLBWFFSN-UHFFFAOYSA-N 1 3 372.340 4.034 20 0 FIADHO COc1cc([C@H](C)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369451 1112320572 /nfs/dbraw/zinc/32/05/72/1112320572.db2.gz GYHBPDIQENWHAC-JENIJYKNSA-N 1 3 371.500 4.181 20 0 FIADHO COc1cc([C@H](C)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369451 1112320577 /nfs/dbraw/zinc/32/05/77/1112320577.db2.gz GYHBPDIQENWHAC-JENIJYKNSA-N 1 3 371.500 4.181 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000480235434 1112344065 /nfs/dbraw/zinc/34/40/65/1112344065.db2.gz XMPSEAXBNLQHDJ-QGZVFWFLSA-N 1 3 371.491 4.035 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333329 1112903744 /nfs/dbraw/zinc/90/37/44/1112903744.db2.gz SKHUQKFBBCQUAQ-IEBWSBKVSA-N 1 3 356.485 4.397 20 0 FIADHO CCCN1CCC([N@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000481893879 1113128857 /nfs/dbraw/zinc/12/88/57/1113128857.db2.gz NCCXOCKDIYPPHA-UHFFFAOYSA-N 1 3 370.493 4.039 20 0 FIADHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000481893879 1113128862 /nfs/dbraw/zinc/12/88/62/1113128862.db2.gz NCCXOCKDIYPPHA-UHFFFAOYSA-N 1 3 370.493 4.039 20 0 FIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000481941122 1113135119 /nfs/dbraw/zinc/13/51/19/1113135119.db2.gz AEBVUGYUURKJRA-QGZVFWFLSA-N 1 3 360.546 4.132 20 0 FIADHO c1cncc([C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CCC2)c1 ZINC000481929951 1113138026 /nfs/dbraw/zinc/13/80/26/1113138026.db2.gz YCGDJJSHFPGZSB-HSZRJFAPSA-N 1 3 365.521 4.187 20 0 FIADHO COc1ccccc1N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000482119371 1113180773 /nfs/dbraw/zinc/18/07/73/1113180773.db2.gz LSRYXFPIIRYRAK-UHFFFAOYSA-N 1 3 371.569 4.051 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000482454238 1113265842 /nfs/dbraw/zinc/26/58/42/1113265842.db2.gz WZHJONFODZVXLX-PZJWPPBQSA-N 1 3 352.547 4.378 20 0 FIADHO NCCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC1CCCC1 ZINC000489879791 1114181597 /nfs/dbraw/zinc/18/15/97/1114181597.db2.gz COGWZUGXPHBEJB-UHFFFAOYSA-N 1 3 372.340 4.163 20 0 FIADHO NCCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC1CCCC1 ZINC000489879791 1114181599 /nfs/dbraw/zinc/18/15/99/1114181599.db2.gz COGWZUGXPHBEJB-UHFFFAOYSA-N 1 3 372.340 4.163 20 0 FIADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490167620 1114228254 /nfs/dbraw/zinc/22/82/54/1114228254.db2.gz LKKJWONOYZQLAN-ZJSXRUAMSA-N 1 3 365.565 4.008 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Br)cn1 ZINC000574811642 1115496836 /nfs/dbraw/zinc/49/68/36/1115496836.db2.gz LSQUIZZYCPZDLZ-HUUCEWRRSA-N 1 3 354.336 4.007 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Br)cn1 ZINC000574811642 1115496838 /nfs/dbraw/zinc/49/68/38/1115496838.db2.gz LSQUIZZYCPZDLZ-HUUCEWRRSA-N 1 3 354.336 4.007 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000607151513 1116003676 /nfs/dbraw/zinc/00/36/76/1116003676.db2.gz RFXLSMKKRVYXPV-HDICACEKSA-N 1 3 364.961 4.094 20 0 FIADHO CC[N@@H+](Cc1nc2ccccc2nc1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000608510879 1116113541 /nfs/dbraw/zinc/11/35/41/1116113541.db2.gz QROFYUZXANTJNS-NRFANRHFSA-N 1 3 374.532 4.282 20 0 FIADHO CC[N@H+](Cc1nc2ccccc2nc1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000608510879 1116113543 /nfs/dbraw/zinc/11/35/43/1116113543.db2.gz QROFYUZXANTJNS-NRFANRHFSA-N 1 3 374.532 4.282 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000534346991 1116187251 /nfs/dbraw/zinc/18/72/51/1116187251.db2.gz NSLVKLIUXGZXCU-UHFFFAOYSA-N 1 3 360.933 4.078 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000534346991 1116187252 /nfs/dbraw/zinc/18/72/52/1116187252.db2.gz NSLVKLIUXGZXCU-UHFFFAOYSA-N 1 3 360.933 4.078 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793794 1116237430 /nfs/dbraw/zinc/23/74/30/1116237430.db2.gz PRHPDXBFRUDQNU-ZBEGNZNMSA-N 1 3 357.723 4.021 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000462784367 1117762369 /nfs/dbraw/zinc/76/23/69/1117762369.db2.gz DZHZBQHUJSJJMX-HZPDHXFCSA-N 1 3 374.326 4.075 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000462784367 1117762373 /nfs/dbraw/zinc/76/23/73/1117762373.db2.gz DZHZBQHUJSJJMX-HZPDHXFCSA-N 1 3 374.326 4.075 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000462784368 1117762758 /nfs/dbraw/zinc/76/27/58/1117762758.db2.gz DZHZBQHUJSJJMX-JKSUJKDBSA-N 1 3 374.326 4.075 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000462784368 1117762762 /nfs/dbraw/zinc/76/27/62/1117762762.db2.gz DZHZBQHUJSJJMX-JKSUJKDBSA-N 1 3 374.326 4.075 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262176 1117962366 /nfs/dbraw/zinc/96/23/66/1117962366.db2.gz GMXYUXYROXNBLD-KSSFIOAISA-N 1 3 351.332 4.222 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262176 1117962367 /nfs/dbraw/zinc/96/23/67/1117962367.db2.gz GMXYUXYROXNBLD-KSSFIOAISA-N 1 3 351.332 4.222 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000463130733 1117978240 /nfs/dbraw/zinc/97/82/40/1117978240.db2.gz IHTPYYSHVZIRBT-QPPBQGQZSA-N 1 3 365.565 4.151 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132483 1117983471 /nfs/dbraw/zinc/98/34/71/1117983471.db2.gz PFEYZVWFMJUXIX-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132483 1117983473 /nfs/dbraw/zinc/98/34/73/1117983473.db2.gz PFEYZVWFMJUXIX-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132481 1117983680 /nfs/dbraw/zinc/98/36/80/1117983680.db2.gz PFEYZVWFMJUXIX-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132481 1117983683 /nfs/dbraw/zinc/98/36/83/1117983683.db2.gz PFEYZVWFMJUXIX-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCC4CCOCC4)[C@@H]3C2)cc1 ZINC000463238336 1118046393 /nfs/dbraw/zinc/04/63/93/1118046393.db2.gz UJWRSKTVNQJGSC-ZRBLBEILSA-N 1 3 356.554 4.084 20 0 FIADHO CCC1(CC)[C@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@H]1OC ZINC000540494193 1118091224 /nfs/dbraw/zinc/09/12/24/1118091224.db2.gz XJIGVLLMYXPFDA-HMXCVIKNSA-N 1 3 372.553 4.158 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778305 1118240795 /nfs/dbraw/zinc/24/07/95/1118240795.db2.gz HWGASQFLBXCVKT-WOJBJXKFSA-N 1 3 367.940 4.077 20 0 FIADHO C[C@H]1CCC[N@H+](CCCCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546616 1118551077 /nfs/dbraw/zinc/55/10/77/1118551077.db2.gz FZFGZLBISVOCJG-AVRDEDQJSA-N 1 3 355.501 4.412 20 0 FIADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546616 1118551080 /nfs/dbraw/zinc/55/10/80/1118551080.db2.gz FZFGZLBISVOCJG-AVRDEDQJSA-N 1 3 355.501 4.412 20 0 FIADHO C[N@H+](CCOc1ccccc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464844523 1118719563 /nfs/dbraw/zinc/71/95/63/1118719563.db2.gz AZQGXECMIOJUDS-LJQANCHMSA-N 1 3 358.913 4.173 20 0 FIADHO C[N@@H+](CCOc1ccccc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464844523 1118719566 /nfs/dbraw/zinc/71/95/66/1118719566.db2.gz AZQGXECMIOJUDS-LJQANCHMSA-N 1 3 358.913 4.173 20 0 FIADHO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000311072872 1119356884 /nfs/dbraw/zinc/35/68/84/1119356884.db2.gz KLIAHLOXIYVSHG-QFBILLFUSA-N 1 3 358.913 4.349 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000311771337 1119389022 /nfs/dbraw/zinc/38/90/22/1119389022.db2.gz GOFACDYYTCHQQF-HCLVMJGWSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771337 1119389024 /nfs/dbraw/zinc/38/90/24/1119389024.db2.gz GOFACDYYTCHQQF-HCLVMJGWSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311890648 1119393910 /nfs/dbraw/zinc/39/39/10/1119393910.db2.gz DEAUDQNNPMULBG-XXBNENTESA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890648 1119393914 /nfs/dbraw/zinc/39/39/14/1119393914.db2.gz DEAUDQNNPMULBG-XXBNENTESA-N 1 3 350.506 4.184 20 0 FIADHO Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000189368984 1119889382 /nfs/dbraw/zinc/88/93/82/1119889382.db2.gz QYUDNMNETFBLRS-LAUBAEHRSA-N 1 3 354.494 4.110 20 0 FIADHO C[NH+](C)Cc1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC000192165358 1120034358 /nfs/dbraw/zinc/03/43/58/1120034358.db2.gz MZLVNKMQKKHVQS-UHFFFAOYSA-N 1 3 367.718 4.454 20 0 FIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000495415298 1120793450 /nfs/dbraw/zinc/79/34/50/1120793450.db2.gz OURXFFLZHVTRKJ-IRFCIJBXSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001168496327 1120997770 /nfs/dbraw/zinc/99/77/70/1120997770.db2.gz IQDKSVPVQVIASM-IBGZPJMESA-N 1 3 352.497 4.355 20 0 FIADHO Brc1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397510449 1121198695 /nfs/dbraw/zinc/19/86/95/1121198695.db2.gz LLBDUOOCHVBULS-UHFFFAOYSA-N 1 3 363.299 4.044 20 0 FIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000397628480 1121252130 /nfs/dbraw/zinc/25/21/30/1121252130.db2.gz MCGNVPPBPQUQHS-HNNXBMFYSA-N 1 3 364.942 4.079 20 0 FIADHO C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761362 1121791296 /nfs/dbraw/zinc/79/12/96/1121791296.db2.gz XITOJDSMACUEAW-ZHRRBRCNSA-N 1 3 365.477 4.239 20 0 FIADHO C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761362 1121791303 /nfs/dbraw/zinc/79/13/03/1121791303.db2.gz XITOJDSMACUEAW-ZHRRBRCNSA-N 1 3 365.477 4.239 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000125802360 1121841577 /nfs/dbraw/zinc/84/15/77/1121841577.db2.gz HHPSNINGHSDYAY-SFHVURJKSA-N 1 3 363.977 4.014 20 0 FIADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148657 1122197388 /nfs/dbraw/zinc/19/73/88/1122197388.db2.gz MMROEJMQVDPKEK-WMZOPIPTSA-N 1 3 374.916 4.054 20 0 FIADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148657 1122197393 /nfs/dbraw/zinc/19/73/93/1122197393.db2.gz MMROEJMQVDPKEK-WMZOPIPTSA-N 1 3 374.916 4.054 20 0 FIADHO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000542693569 1122289338 /nfs/dbraw/zinc/28/93/38/1122289338.db2.gz JVPIFISCNOFNHN-FFJFPXHCSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c2ccccc21 ZINC000556119356 1122670817 /nfs/dbraw/zinc/67/08/17/1122670817.db2.gz WIQLWPSMTDZINN-UZQPLGKSSA-N 1 3 356.485 4.007 20 0 FIADHO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230587 1122757254 /nfs/dbraw/zinc/75/72/54/1122757254.db2.gz OUFMFCHCHOHKOT-VXKWHMMOSA-N 1 3 370.581 4.474 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCC[C@H]21 ZINC000556869707 1123150761 /nfs/dbraw/zinc/15/07/61/1123150761.db2.gz ANBHXMBKESMCKQ-FUPPJEDESA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCC[C@H]21 ZINC000556869707 1123150763 /nfs/dbraw/zinc/15/07/63/1123150763.db2.gz ANBHXMBKESMCKQ-FUPPJEDESA-N 1 3 374.532 4.047 20 0 FIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H]2CCC[C@H]21 ZINC000556869902 1123153117 /nfs/dbraw/zinc/15/31/17/1123153117.db2.gz DAOWEFUOAKGFJA-AKHDSKFASA-N 1 3 350.453 4.128 20 0 FIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H]2CCC[C@H]21 ZINC000556869902 1123153120 /nfs/dbraw/zinc/15/31/20/1123153120.db2.gz DAOWEFUOAKGFJA-AKHDSKFASA-N 1 3 350.453 4.128 20 0 FIADHO CCc1nc2c(s1)[C@@H](NC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000132339701 1123245004 /nfs/dbraw/zinc/24/50/04/1123245004.db2.gz GNWBFUUVTOANQK-SFHVURJKSA-N 1 3 355.551 4.337 20 0 FIADHO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1C ZINC000499144489 1123285700 /nfs/dbraw/zinc/28/57/00/1123285700.db2.gz DINVWEVKFXWUFR-KOUNCHBCSA-N 1 3 350.506 4.289 20 0 FIADHO C[C@@H]1CCCC[C@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499158121 1123297916 /nfs/dbraw/zinc/29/79/16/1123297916.db2.gz RSQKKRXQADZBKE-FUBOCBINSA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H]1CCCC[C@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158121 1123297920 /nfs/dbraw/zinc/29/79/20/1123297920.db2.gz RSQKKRXQADZBKE-FUBOCBINSA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H](CCN1CCSC2(CCC2)CC1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868471 1124042064 /nfs/dbraw/zinc/04/20/64/1124042064.db2.gz KQSLEGISMRJBGC-SFHVURJKSA-N 1 3 368.656 4.488 20 0 FIADHO C[C@@H](CCN1CCSC2(CCC2)CC1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411868471 1124042068 /nfs/dbraw/zinc/04/20/68/1124042068.db2.gz KQSLEGISMRJBGC-SFHVURJKSA-N 1 3 368.656 4.488 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000245612351 1124141233 /nfs/dbraw/zinc/14/12/33/1124141233.db2.gz JWXOKLWDAQWERD-RBUKOAKNSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000245612351 1124141237 /nfs/dbraw/zinc/14/12/37/1124141237.db2.gz JWXOKLWDAQWERD-RBUKOAKNSA-N 1 3 352.522 4.262 20 0 FIADHO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000245642358 1124158686 /nfs/dbraw/zinc/15/86/86/1124158686.db2.gz BAMXELQTADKEFA-ACDBMABISA-N 1 3 354.469 4.120 20 0 FIADHO CCc1cnc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000245642227 1124159312 /nfs/dbraw/zinc/15/93/12/1124159312.db2.gz AYAZYWJMWITUIC-LDLYASANSA-N 1 3 355.551 4.033 20 0 FIADHO CCc1cnc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000245642227 1124159317 /nfs/dbraw/zinc/15/93/17/1124159317.db2.gz AYAZYWJMWITUIC-LDLYASANSA-N 1 3 355.551 4.033 20 0 FIADHO CN(C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754501 1124241490 /nfs/dbraw/zinc/24/14/90/1124241490.db2.gz UPDBWZHKOGZTQE-WOZUAGRISA-N 1 3 369.578 4.136 20 0 FIADHO CN(C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754501 1124241492 /nfs/dbraw/zinc/24/14/92/1124241492.db2.gz UPDBWZHKOGZTQE-WOZUAGRISA-N 1 3 369.578 4.136 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245806863 1124254826 /nfs/dbraw/zinc/25/48/26/1124254826.db2.gz YQJCZQLHKSMIGJ-IFXJQAMLSA-N 1 3 360.933 4.057 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245806863 1124254832 /nfs/dbraw/zinc/25/48/32/1124254832.db2.gz YQJCZQLHKSMIGJ-IFXJQAMLSA-N 1 3 360.933 4.057 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCCC[C@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654442 1124415242 /nfs/dbraw/zinc/41/52/42/1124415242.db2.gz UBGFNLDBCLUUHI-FUDKSRODSA-N 1 3 372.553 4.256 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654442 1124415247 /nfs/dbraw/zinc/41/52/47/1124415247.db2.gz UBGFNLDBCLUUHI-FUDKSRODSA-N 1 3 372.553 4.256 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000246378841 1124476990 /nfs/dbraw/zinc/47/69/90/1124476990.db2.gz JXFBYJMUEAABCV-FFZOFVMBSA-N 1 3 356.510 4.160 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CCCc4c3cnn4C)cc2)C1 ZINC000246928802 1124574827 /nfs/dbraw/zinc/57/48/27/1124574827.db2.gz HAZPLRHPIQNKLR-SVMVAKDDSA-N 1 3 366.553 4.065 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCCc4c3cnn4C)cc2)C1 ZINC000246928802 1124574831 /nfs/dbraw/zinc/57/48/31/1124574831.db2.gz HAZPLRHPIQNKLR-SVMVAKDDSA-N 1 3 366.553 4.065 20 0 FIADHO c1ccc(COc2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000247064218 1124587067 /nfs/dbraw/zinc/58/70/67/1124587067.db2.gz VOEXDOOKSFIQEU-VXKWHMMOSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2ccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000247064218 1124587072 /nfs/dbraw/zinc/58/70/72/1124587072.db2.gz VOEXDOOKSFIQEU-VXKWHMMOSA-N 1 3 350.506 4.025 20 0 FIADHO CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247069692 1124587362 /nfs/dbraw/zinc/58/73/62/1124587362.db2.gz ODYMEGHFLHRWSW-PKOBYXMFSA-N 1 3 369.509 4.235 20 0 FIADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248412044 1124765226 /nfs/dbraw/zinc/76/52/26/1124765226.db2.gz ZYRFVYKYAJVYOM-HFSMHLIXSA-N 1 3 362.533 4.016 20 0 FIADHO COc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000090468910 1124998139 /nfs/dbraw/zinc/99/81/39/1124998139.db2.gz CQEHBIRJOBDSQQ-HNNXBMFYSA-N 1 3 362.901 4.140 20 0 FIADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090523662 1125001549 /nfs/dbraw/zinc/00/15/49/1125001549.db2.gz QQPVVNUPXDFGNO-XHSDSOJGSA-N 1 3 356.963 4.210 20 0 FIADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000521431713 568047722 /nfs/dbraw/zinc/04/77/22/568047722.db2.gz MSWXIJIEHAMRBR-IBGZPJMESA-N 1 3 365.606 4.000 20 0 FIADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000521431713 568047724 /nfs/dbraw/zinc/04/77/24/568047724.db2.gz MSWXIJIEHAMRBR-IBGZPJMESA-N 1 3 365.606 4.000 20 0 FIADHO c1ccc(CN2CCC([C@@H]3CCCCC[N@@H+]3Cc3cnccn3)CC2)cc1 ZINC000563117494 568220532 /nfs/dbraw/zinc/22/05/32/568220532.db2.gz YQSREXDQUOIXJO-QHCPKHFHSA-N 1 3 364.537 4.133 20 0 FIADHO c1ccc(CN2CCC([C@@H]3CCCCC[N@H+]3Cc3cnccn3)CC2)cc1 ZINC000563117494 568220533 /nfs/dbraw/zinc/22/05/33/568220533.db2.gz YQSREXDQUOIXJO-QHCPKHFHSA-N 1 3 364.537 4.133 20 0 FIADHO CC[NH2+]CC1CCN(Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000563131365 568263390 /nfs/dbraw/zinc/26/33/90/568263390.db2.gz IBFXHDSBTBRGFE-UHFFFAOYSA-N 1 3 374.960 4.023 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000604418259 568276257 /nfs/dbraw/zinc/27/62/57/568276257.db2.gz NZWMTEKFNOFWCZ-SIKLNZKXSA-N 1 3 370.537 4.482 20 0 FIADHO COc1ccc([C@@H](C)NCc2cccc(O)c2)cc1C[NH+]1CCCCC1 ZINC000182746951 1125613393 /nfs/dbraw/zinc/61/33/93/1125613393.db2.gz CWMAMPZWHDNGMG-QGZVFWFLSA-N 1 3 354.494 4.238 20 0 FIADHO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001648785838 1079569395 /nfs/dbraw/zinc/56/93/95/1079569395.db2.gz HSNLNFXWOWAOLG-YKSBVNFPSA-N 1 3 363.549 4.287 20 0 FIADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180119323 1080450430 /nfs/dbraw/zinc/45/04/30/1080450430.db2.gz JWTKLXRRLNNOTM-PGRDOPGGSA-N 1 3 371.956 4.045 20 0 FIADHO C[NH+](C)C1CCN(CCN[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180712184 1080541577 /nfs/dbraw/zinc/54/15/77/1080541577.db2.gz HXHKVLPGGPXWKA-QFIPXVFZSA-N 1 3 371.956 4.045 20 0 FIADHO CN(Cc1ccccc1)C[C@H](C[N@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137555 1080677086 /nfs/dbraw/zinc/67/70/86/1080677086.db2.gz AMWNCJCNPFFPEC-RPWUZVMVSA-N 1 3 366.549 4.403 20 0 FIADHO CN(Cc1ccccc1)C[C@H](C[N@@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137555 1080677088 /nfs/dbraw/zinc/67/70/88/1080677088.db2.gz AMWNCJCNPFFPEC-RPWUZVMVSA-N 1 3 366.549 4.403 20 0 FIADHO Cn1cccc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321113 1080805732 /nfs/dbraw/zinc/80/57/32/1080805732.db2.gz JTSHCPRVKMSUGD-QFBILLFUSA-N 1 3 365.443 4.217 20 0 FIADHO Cn1cccc1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321113 1080805736 /nfs/dbraw/zinc/80/57/36/1080805736.db2.gz JTSHCPRVKMSUGD-QFBILLFUSA-N 1 3 365.443 4.217 20 0 FIADHO Cc1ncncc1[C@@H](C)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000655686759 1081114331 /nfs/dbraw/zinc/11/43/31/1081114331.db2.gz CFMJUXAEBVRHJW-QGZVFWFLSA-N 1 3 360.505 4.364 20 0 FIADHO C[C@@H]1CCCC[C@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001648830263 1081267786 /nfs/dbraw/zinc/26/77/86/1081267786.db2.gz NGAQJSWSWHNSGT-GGAORHGYSA-N 1 3 357.586 4.000 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001167321932 1081381915 /nfs/dbraw/zinc/38/19/15/1081381915.db2.gz LXNXEASYMKFIDG-UHFFFAOYSA-N 1 3 360.542 4.194 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001167321932 1081381922 /nfs/dbraw/zinc/38/19/22/1081381922.db2.gz LXNXEASYMKFIDG-UHFFFAOYSA-N 1 3 360.542 4.194 20 0 FIADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)CC3 ZINC000123347711 1081473882 /nfs/dbraw/zinc/47/38/82/1081473882.db2.gz FGWRWBWUJMDOPI-QGZVFWFLSA-N 1 3 367.537 4.030 20 0 FIADHO CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312782662 1081841509 /nfs/dbraw/zinc/84/15/09/1081841509.db2.gz ASJLKICJBLSYOD-GHTZIAJQSA-N 1 3 368.521 4.094 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000683927218 1081929130 /nfs/dbraw/zinc/92/91/30/1081929130.db2.gz GLSUEHSDYKYXCH-UHFFFAOYSA-N 1 3 351.494 4.178 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000471585484 1081984736 /nfs/dbraw/zinc/98/47/36/1081984736.db2.gz MKILJLNUKXBVDB-FUKQBSRTSA-N 1 3 357.586 4.311 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC000312925159 1082033320 /nfs/dbraw/zinc/03/33/20/1082033320.db2.gz DGQGDHZGSIEBPU-WSTZPKSXSA-N 1 3 368.521 4.265 20 0 FIADHO FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCCN(C[C@H]3CCCCO3)C2)C1 ZINC001279475220 1082254837 /nfs/dbraw/zinc/25/48/37/1082254837.db2.gz XUVPNVGURDMGSA-QZTJIDSGSA-N 1 3 362.480 4.076 20 0 FIADHO FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCCN(C[C@H]3CCCCO3)C2)C1 ZINC001279475220 1082254842 /nfs/dbraw/zinc/25/48/42/1082254842.db2.gz XUVPNVGURDMGSA-QZTJIDSGSA-N 1 3 362.480 4.076 20 0 FIADHO Clc1cccc2c1CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656684989 1082715806 /nfs/dbraw/zinc/71/58/06/1082715806.db2.gz ZODXHIZKABPNKZ-OAQYLSRUSA-N 1 3 355.913 4.224 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(Cl)c1 ZINC000656683964 1082717818 /nfs/dbraw/zinc/71/78/18/1082717818.db2.gz QUZCTRLDRFIZOP-OAHLLOKOSA-N 1 3 361.892 4.437 20 0 FIADHO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253551 1083366561 /nfs/dbraw/zinc/36/65/61/1083366561.db2.gz FZBFSQDMFIJSQN-GOSISDBHSA-N 1 3 368.521 4.144 20 0 FIADHO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253551 1083366569 /nfs/dbraw/zinc/36/65/69/1083366569.db2.gz FZBFSQDMFIJSQN-GOSISDBHSA-N 1 3 368.521 4.144 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318723 1083407003 /nfs/dbraw/zinc/40/70/03/1083407003.db2.gz SJLVZDQOFSVSEW-YADHBBJMSA-N 1 3 361.533 4.351 20 0 FIADHO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1F ZINC000544081870 1083883287 /nfs/dbraw/zinc/88/32/87/1083883287.db2.gz MRRJPURXWUSIMS-QGZVFWFLSA-N 1 3 362.533 4.400 20 0 FIADHO CCC1(CN[C@H](C)c2cc3n(n2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000414090835 1084518846 /nfs/dbraw/zinc/51/88/46/1084518846.db2.gz CUMDQNPCYJUDDJ-LJQANCHMSA-N 1 3 366.553 4.172 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000613491088 1084819916 /nfs/dbraw/zinc/81/99/16/1084819916.db2.gz FKZKVTMTDHGZCI-UHFFFAOYSA-N 1 3 359.489 4.425 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000613491088 1084819921 /nfs/dbraw/zinc/81/99/21/1084819921.db2.gz FKZKVTMTDHGZCI-UHFFFAOYSA-N 1 3 359.489 4.425 20 0 FIADHO CC[C@@H](C)Oc1cc(C)ccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657392794 1084876517 /nfs/dbraw/zinc/87/65/17/1084876517.db2.gz CKOJGVSLXQVQAZ-QGZVFWFLSA-N 1 3 350.466 4.043 20 0 FIADHO C[C@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c2sccc21 ZINC000414296368 1084988429 /nfs/dbraw/zinc/98/84/29/1084988429.db2.gz FGLHNAXSFLKZCH-PXNSSMCTSA-N 1 3 370.562 4.303 20 0 FIADHO c1ccc(C[NH+]2CCC3(CCN(Cc4cnc5ccccc5n4)C3)CC2)cc1 ZINC000660621826 1085175240 /nfs/dbraw/zinc/17/52/40/1085175240.db2.gz BXVJALOHRFJWNY-UHFFFAOYSA-N 1 3 372.516 4.118 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)C[C@H](C)O1 ZINC000432229680 1085691355 /nfs/dbraw/zinc/69/13/55/1085691355.db2.gz TXCRPMJIDSNDOH-BETUJISGSA-N 1 3 363.304 4.112 20 0 FIADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2cc(Cl)cc3Br)cc1 ZINC000564989682 1085812779 /nfs/dbraw/zinc/81/27/79/1085812779.db2.gz WYDCOXSZUZPVET-QGZVFWFLSA-N 1 3 365.702 4.338 20 0 FIADHO Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663097535 1085990398 /nfs/dbraw/zinc/99/03/98/1085990398.db2.gz YRSQGVWJRRFIFW-QFIPXVFZSA-N 1 3 352.526 4.052 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583063420 1086130408 /nfs/dbraw/zinc/13/04/08/1086130408.db2.gz SQKIQLDLPRJDCW-KNQAVFIVSA-N 1 3 350.506 4.184 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063420 1086130421 /nfs/dbraw/zinc/13/04/21/1086130421.db2.gz SQKIQLDLPRJDCW-KNQAVFIVSA-N 1 3 350.506 4.184 20 0 FIADHO c1ccc(-c2noc(C3CCN(C4CC4)CC3)n2)c(C[NH+]2CCCCC2)c1 ZINC000583169423 1086335088 /nfs/dbraw/zinc/33/50/88/1086335088.db2.gz VIGIFTJWCFWIIH-UHFFFAOYSA-N 1 3 366.509 4.064 20 0 FIADHO Brc1ccc(C2(NCc3cccc4c3CC[NH2+]C4)CCC2)cc1 ZINC000662259595 1086382839 /nfs/dbraw/zinc/38/28/39/1086382839.db2.gz ZAVUXYABQACYRQ-UHFFFAOYSA-N 1 3 371.322 4.264 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000663469497 1086575364 /nfs/dbraw/zinc/57/53/64/1086575364.db2.gz PSTYYGZLQMYOMH-XYJFISCASA-N 1 3 357.567 4.500 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000663469497 1086575379 /nfs/dbraw/zinc/57/53/79/1086575379.db2.gz PSTYYGZLQMYOMH-XYJFISCASA-N 1 3 357.567 4.500 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000663469497 1086575390 /nfs/dbraw/zinc/57/53/90/1086575390.db2.gz PSTYYGZLQMYOMH-XYJFISCASA-N 1 3 357.567 4.500 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469977 1086575814 /nfs/dbraw/zinc/57/58/14/1086575814.db2.gz SHCQPUDPUWJRFY-AZUAARDMSA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469977 1086575825 /nfs/dbraw/zinc/57/58/25/1086575825.db2.gz SHCQPUDPUWJRFY-AZUAARDMSA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469977 1086575835 /nfs/dbraw/zinc/57/58/35/1086575835.db2.gz SHCQPUDPUWJRFY-AZUAARDMSA-N 1 3 371.569 4.239 20 0 FIADHO COc1ccc([C@@H](CC(C)C)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000647288213 1086610449 /nfs/dbraw/zinc/61/04/49/1086610449.db2.gz TUHOOHBWDDSZBL-OAQYLSRUSA-N 1 3 360.542 4.017 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCOCC(F)(F)F)CC1 ZINC000583421744 1086669684 /nfs/dbraw/zinc/66/96/84/1086669684.db2.gz WTFRRUXOKRIAEI-UHFFFAOYSA-N 1 3 352.485 4.224 20 0 FIADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2nc3ccccc3cc2C)CC1 ZINC001167837441 1086710739 /nfs/dbraw/zinc/71/07/39/1086710739.db2.gz KKBSUCWNICPLDE-FQEVSTJZSA-N 1 3 368.569 4.176 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425025 1086749775 /nfs/dbraw/zinc/74/97/75/1086749775.db2.gz SPUDTVTZEZPAMZ-OXQOHEQNSA-N 1 3 350.934 4.272 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425025 1086749780 /nfs/dbraw/zinc/74/97/80/1086749780.db2.gz SPUDTVTZEZPAMZ-OXQOHEQNSA-N 1 3 350.934 4.272 20 0 FIADHO c1c2cnccc2oc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772136 1086813793 /nfs/dbraw/zinc/81/37/93/1086813793.db2.gz KBXGAALNMIRDLT-HXUWFJFHSA-N 1 3 361.489 4.220 20 0 FIADHO c1c2cccnc2oc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657774401 1086849292 /nfs/dbraw/zinc/84/92/92/1086849292.db2.gz YPWFMWURUSJDSO-FQEVSTJZSA-N 1 3 361.489 4.220 20 0 FIADHO CCO[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000583660777 1086903143 /nfs/dbraw/zinc/90/31/43/1086903143.db2.gz MDMYYOSXXNQVBZ-AJSBUHFISA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660777 1086903145 /nfs/dbraw/zinc/90/31/45/1086903145.db2.gz MDMYYOSXXNQVBZ-AJSBUHFISA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660777 1086903146 /nfs/dbraw/zinc/90/31/46/1086903146.db2.gz MDMYYOSXXNQVBZ-AJSBUHFISA-N 1 3 352.522 4.264 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000650758307 1086973090 /nfs/dbraw/zinc/97/30/90/1086973090.db2.gz MZOXXPBAOFQIBY-AWEZNQCLSA-N 1 3 352.400 4.198 20 0 FIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000584378423 1087313814 /nfs/dbraw/zinc/31/38/14/1087313814.db2.gz JKEMZOMKHQTEEX-IRLDBZIGSA-N 1 3 350.506 4.278 20 0 FIADHO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000584378423 1087313819 /nfs/dbraw/zinc/31/38/19/1087313819.db2.gz JKEMZOMKHQTEEX-IRLDBZIGSA-N 1 3 350.506 4.278 20 0 FIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000584378424 1087313854 /nfs/dbraw/zinc/31/38/54/1087313854.db2.gz JKEMZOMKHQTEEX-RBBKRZOGSA-N 1 3 350.506 4.278 20 0 FIADHO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000584378424 1087313857 /nfs/dbraw/zinc/31/38/57/1087313857.db2.gz JKEMZOMKHQTEEX-RBBKRZOGSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cn1 ZINC000092747345 1087447645 /nfs/dbraw/zinc/44/76/45/1087447645.db2.gz VLOSBOYNJGHMCO-HNNXBMFYSA-N 1 3 361.892 4.437 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc3ccncc3s2)[C@H](C)C1 ZINC000657884437 1087528842 /nfs/dbraw/zinc/52/88/42/1087528842.db2.gz UHSJMKHDBXGXON-RYRKJORJSA-N 1 3 361.555 4.084 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc3ccncc3s2)[C@H](C)C1 ZINC000657884437 1087528846 /nfs/dbraw/zinc/52/88/46/1087528846.db2.gz UHSJMKHDBXGXON-RYRKJORJSA-N 1 3 361.555 4.084 20 0 FIADHO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000685662044 1087666950 /nfs/dbraw/zinc/66/69/50/1087666950.db2.gz YZFGSYGQLKQZHW-LQBOVUBWSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@@]1(C)OCCc2sccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685662044 1087666952 /nfs/dbraw/zinc/66/69/52/1087666952.db2.gz YZFGSYGQLKQZHW-LQBOVUBWSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@@]1(C)OCCc2sccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662044 1087666954 /nfs/dbraw/zinc/66/69/54/1087666954.db2.gz YZFGSYGQLKQZHW-LQBOVUBWSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccnc3ccccc23)CC1 ZINC000658128194 1087733866 /nfs/dbraw/zinc/73/38/66/1087733866.db2.gz TYBZJLJGFULGBQ-FDDCHVKYSA-N 1 3 351.538 4.410 20 0 FIADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165103 1087760407 /nfs/dbraw/zinc/76/04/07/1087760407.db2.gz PNVJPAQLFVEDPD-KRWDZBQOSA-N 1 3 373.491 4.183 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(C)ccc1OC ZINC000658165390 1087761906 /nfs/dbraw/zinc/76/19/06/1087761906.db2.gz JHDMVNNGXIRTAM-JOCHJYFZSA-N 1 3 367.537 4.352 20 0 FIADHO CN(C)Cc1ccc(-c2noc(CC[C@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000424333835 1087927054 /nfs/dbraw/zinc/92/70/54/1087927054.db2.gz DYPKWKKAYNJCDL-IBGZPJMESA-N 1 3 356.514 4.029 20 0 FIADHO COc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647543578 1088030618 /nfs/dbraw/zinc/03/06/18/1088030618.db2.gz PTJBAYJIPNWBHL-QZTJIDSGSA-N 1 3 371.550 4.030 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000311246583 1088444213 /nfs/dbraw/zinc/44/42/13/1088444213.db2.gz LBIUCCRDIPBNAI-LJQANCHMSA-N 1 3 359.514 4.095 20 0 FIADHO CCCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000514175274 1088859846 /nfs/dbraw/zinc/85/98/46/1088859846.db2.gz XFGXLQICXLDQRK-JOCHJYFZSA-N 1 3 373.585 4.229 20 0 FIADHO NC1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCCCC1 ZINC000414858112 1089118977 /nfs/dbraw/zinc/11/89/77/1089118977.db2.gz HWQJQVZNSPSPBL-UHFFFAOYSA-N 1 3 367.940 4.085 20 0 FIADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccncc2)cs1 ZINC000415083144 1089140648 /nfs/dbraw/zinc/14/06/48/1089140648.db2.gz MZCTZVFJFWZNLJ-FUHWJXTLSA-N 1 3 358.555 4.038 20 0 FIADHO CC[NH2+]CC1CCN(Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000514790534 1089472459 /nfs/dbraw/zinc/47/24/59/1089472459.db2.gz ZCCQDAABENUXBL-UHFFFAOYSA-N 1 3 374.550 4.157 20 0 FIADHO COCc1cccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435420496 1089634574 /nfs/dbraw/zinc/63/45/74/1089634574.db2.gz DGEZRDWOKKFGSO-HXUWFJFHSA-N 1 3 356.535 4.039 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310968 1090804492 /nfs/dbraw/zinc/80/44/92/1090804492.db2.gz LELUWSLBEXWJAN-BVOGOJNSSA-N 1 3 354.563 4.394 20 0 FIADHO Cc1ccc([C@H]([NH2+]CCCN2CCN(C(C)C)CC2)c2ccccc2)cc1 ZINC000500102733 1091040083 /nfs/dbraw/zinc/04/00/83/1091040083.db2.gz FQCANPBTELDJTQ-XMMPIXPASA-N 1 3 365.565 4.090 20 0 FIADHO CC(C)(C)OC(=O)CCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512258512 1091973283 /nfs/dbraw/zinc/97/32/83/1091973283.db2.gz FUHBFKJNHMMQJM-QHCPKHFHSA-N 1 3 372.553 4.096 20 0 FIADHO CC(C)(C)OC(=O)CCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512258512 1091973289 /nfs/dbraw/zinc/97/32/89/1091973289.db2.gz FUHBFKJNHMMQJM-QHCPKHFHSA-N 1 3 372.553 4.096 20 0 FIADHO C[C@H]1CC([NH2+]Cc2ccccc2N(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168011901 1092302415 /nfs/dbraw/zinc/30/24/15/1092302415.db2.gz UFVBHDQYMSMFSU-OALUTQOASA-N 1 3 351.538 4.284 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccccc2Br)C1 ZINC000520949772 1092375597 /nfs/dbraw/zinc/37/55/97/1092375597.db2.gz PZVLOTNAJKYSPM-HZPDHXFCSA-N 1 3 353.348 4.297 20 0 FIADHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OCc1ccc(F)cc1 ZINC000521333092 1092652587 /nfs/dbraw/zinc/65/25/87/1092652587.db2.gz ANTGNHXGTNWXBS-UHFFFAOYSA-N 1 3 374.500 4.091 20 0 FIADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000549726896 1092722982 /nfs/dbraw/zinc/72/29/82/1092722982.db2.gz OOVTUCSVMSVAJG-NQIIRXRSSA-N 1 3 364.574 4.133 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3cc(OC)ccc32)[C@@H](C)C1 ZINC000474039328 1092841179 /nfs/dbraw/zinc/84/11/79/1092841179.db2.gz SUHTWKDLPUXYCF-BULFRSBZSA-N 1 3 374.569 4.144 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3cc(OC)ccc32)[C@@H](C)C1 ZINC000474039328 1092841185 /nfs/dbraw/zinc/84/11/85/1092841185.db2.gz SUHTWKDLPUXYCF-BULFRSBZSA-N 1 3 374.569 4.144 20 0 FIADHO Cc1cc(C(F)(F)F)ccc1CNCc1cccc(OCC[NH+](C)C)c1 ZINC000442987227 1092906872 /nfs/dbraw/zinc/90/68/72/1092906872.db2.gz DXBROEPZTAEBNC-UHFFFAOYSA-N 1 3 366.427 4.244 20 0 FIADHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000245689277 1092948253 /nfs/dbraw/zinc/94/82/53/1092948253.db2.gz KAZHVCUSKIFONH-MJZWAZDZSA-N 1 3 368.496 4.033 20 0 FIADHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000245689277 1092948256 /nfs/dbraw/zinc/94/82/56/1092948256.db2.gz KAZHVCUSKIFONH-MJZWAZDZSA-N 1 3 368.496 4.033 20 0 FIADHO CCc1nc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cs1 ZINC000512636271 1093052159 /nfs/dbraw/zinc/05/21/59/1093052159.db2.gz KWGPJIKUDMDHPD-CEWLAPEOSA-N 1 3 369.578 4.138 20 0 FIADHO COC1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000512648505 1093069049 /nfs/dbraw/zinc/06/90/49/1093069049.db2.gz NQPZAFHXJZZFDZ-SOBISTDDSA-N 1 3 356.554 4.082 20 0 FIADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000512653421 1093079770 /nfs/dbraw/zinc/07/97/70/1093079770.db2.gz FDPWQVLRHVWNDA-BHDDXSALSA-N 1 3 356.554 4.084 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469789834 1093344962 /nfs/dbraw/zinc/34/49/62/1093344962.db2.gz ZXBVJITWILYULD-QFBILLFUSA-N 1 3 370.990 4.159 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469789834 1093344969 /nfs/dbraw/zinc/34/49/69/1093344969.db2.gz ZXBVJITWILYULD-QFBILLFUSA-N 1 3 370.990 4.159 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)[C@H](C)C1 ZINC000469789835 1093345316 /nfs/dbraw/zinc/34/53/16/1093345316.db2.gz ZXBVJITWILYULD-VQIMIIECSA-N 1 3 370.990 4.159 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccc(Cl)cc2)[C@H](C)C1 ZINC000469789835 1093345326 /nfs/dbraw/zinc/34/53/26/1093345326.db2.gz ZXBVJITWILYULD-VQIMIIECSA-N 1 3 370.990 4.159 20 0 FIADHO CC(C)C[C@@H](CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149746 1093465839 /nfs/dbraw/zinc/46/58/39/1093465839.db2.gz JREQVDQYHCEHOT-ZDXQCDESSA-N 1 3 371.613 4.307 20 0 FIADHO CC(C)C[C@@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149746 1093465842 /nfs/dbraw/zinc/46/58/42/1093465842.db2.gz JREQVDQYHCEHOT-ZDXQCDESSA-N 1 3 371.613 4.307 20 0 FIADHO Cc1cc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc(C)c1OCc1ccccn1 ZINC000237050654 1093765382 /nfs/dbraw/zinc/76/53/82/1093765382.db2.gz DVYQCSDJTPJQBM-IRLDBZIGSA-N 1 3 367.537 4.240 20 0 FIADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000246531395 1093940880 /nfs/dbraw/zinc/94/08/80/1093940880.db2.gz VILQQVNWSVQOFL-KBMXLJTQSA-N 1 3 369.372 4.146 20 0 FIADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000246531395 1093940881 /nfs/dbraw/zinc/94/08/81/1093940881.db2.gz VILQQVNWSVQOFL-KBMXLJTQSA-N 1 3 369.372 4.146 20 0 FIADHO COCc1ccccc1/C=C(/C)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513337690 1094063871 /nfs/dbraw/zinc/06/38/71/1094063871.db2.gz JMDUIDIDWBMCCU-PZHBDVNGSA-N 1 3 364.533 4.348 20 0 FIADHO COCc1ccccc1/C=C(/C)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337690 1094063879 /nfs/dbraw/zinc/06/38/79/1094063879.db2.gz JMDUIDIDWBMCCU-PZHBDVNGSA-N 1 3 364.533 4.348 20 0 FIADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513679423 1094263898 /nfs/dbraw/zinc/26/38/98/1094263898.db2.gz WZYLSPHOLSKMCZ-LFDQFFAPSA-N 1 3 356.554 4.082 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474598666 1094394690 /nfs/dbraw/zinc/39/46/90/1094394690.db2.gz JMFPOSFWRJXFDQ-BQJWPVKWSA-N 1 3 370.990 4.373 20 0 FIADHO C[C@@H]1CC([NH2+]Cc2cnc3ccc(F)cn23)C[C@@H](C)N1Cc1ccccc1 ZINC001168039670 1094450600 /nfs/dbraw/zinc/45/06/00/1094450600.db2.gz HALMYMZOCXORGD-IAGOWNOFSA-N 1 3 366.484 4.005 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000501088136 1094488996 /nfs/dbraw/zinc/48/89/96/1094488996.db2.gz JAAXSFBOJQNCLK-UHFFFAOYSA-N 1 3 365.565 4.220 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000501088136 1094489000 /nfs/dbraw/zinc/48/90/00/1094489000.db2.gz JAAXSFBOJQNCLK-UHFFFAOYSA-N 1 3 365.565 4.220 20 0 FIADHO Clc1ccccc1-c1csc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325582 1094888961 /nfs/dbraw/zinc/88/89/61/1094888961.db2.gz IVQSLXDWZDTNJP-HUUCEWRRSA-N 1 3 361.942 4.285 20 0 FIADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC ZINC000502469992 1095497995 /nfs/dbraw/zinc/49/79/95/1095497995.db2.gz DMCSBZQJLXXDDZ-IPMKNSEASA-N 1 3 374.569 4.186 20 0 FIADHO CCCCCN1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051347 1095805254 /nfs/dbraw/zinc/80/52/54/1095805254.db2.gz HPKXTKQDVCQABF-SFTDATJTSA-N 1 3 357.586 4.236 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421822763 1095936174 /nfs/dbraw/zinc/93/61/74/1095936174.db2.gz BHZVHKIHPZNHDT-BBWFWOEESA-N 1 3 373.928 4.195 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421822763 1095936179 /nfs/dbraw/zinc/93/61/79/1095936179.db2.gz BHZVHKIHPZNHDT-BBWFWOEESA-N 1 3 373.928 4.195 20 0 FIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3=CCN(C)CC3)s2)cc1 ZINC000271817149 1096131247 /nfs/dbraw/zinc/13/12/47/1096131247.db2.gz BSGUNQHTZLXYGZ-CQSZACIVSA-N 1 3 357.523 4.040 20 0 FIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414662433 1096371964 /nfs/dbraw/zinc/37/19/64/1096371964.db2.gz QFNRHQAIUWOBTI-UYAOXDASSA-N 1 3 360.505 4.017 20 0 FIADHO [NH3+][C@@H]1C[C@H](NCC2(c3cccc(Cl)c3)CCOCC2)c2ccccc21 ZINC000422768363 1096485492 /nfs/dbraw/zinc/48/54/92/1096485492.db2.gz SYAPFYCKQAVCJG-UXHICEINSA-N 1 3 356.897 4.123 20 0 FIADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422781368 1096490394 /nfs/dbraw/zinc/49/03/94/1096490394.db2.gz IQTQXJMKTIUZNT-HSALFYBXSA-N 1 3 355.551 4.253 20 0 FIADHO Cc1cc(Br)cc(C)c1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422823157 1096499130 /nfs/dbraw/zinc/49/91/30/1096499130.db2.gz LIDNIUISEDWJFS-ZDUSSCGKSA-N 1 3 362.315 4.079 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825149 1096500926 /nfs/dbraw/zinc/50/09/26/1096500926.db2.gz JDLWIRLDHUATJE-DJJJIMSYSA-N 1 3 361.436 4.178 20 0 FIADHO CC(C)Oc1cccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422879456 1096511065 /nfs/dbraw/zinc/51/10/65/1096511065.db2.gz KNIWLESRRUCGLG-HYVJGQCMSA-N 1 3 366.505 4.380 20 0 FIADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422880930 1096511146 /nfs/dbraw/zinc/51/11/46/1096511146.db2.gz XVDNKVNBKKXYNA-MLGOLLRUSA-N 1 3 367.946 4.176 20 0 FIADHO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCCCC2)cc1 ZINC000422898772 1096519299 /nfs/dbraw/zinc/51/92/99/1096519299.db2.gz FWSYOSASCZUOSI-KRWDZBQOSA-N 1 3 367.537 4.410 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000422954627 1096538880 /nfs/dbraw/zinc/53/88/80/1096538880.db2.gz JKKFPFJPNGILLM-GTNSWQLSSA-N 1 3 350.293 4.494 20 0 FIADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423037184 1096556079 /nfs/dbraw/zinc/55/60/79/1096556079.db2.gz VQAQDCQFIBICNQ-UHIXZJCNSA-N 1 3 355.929 4.108 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423040781 1096557374 /nfs/dbraw/zinc/55/73/74/1096557374.db2.gz HXTLVNRMPHKMRG-OLZOCXBDSA-N 1 3 351.416 4.149 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423058678 1096560526 /nfs/dbraw/zinc/56/05/26/1096560526.db2.gz KCIOTGAQECNSAQ-QWHCGFSZSA-N 1 3 351.416 4.322 20 0 FIADHO CCCOc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000423066297 1096562457 /nfs/dbraw/zinc/56/24/57/1096562457.db2.gz DKISOPDDMPOEMF-FYYLOGMGSA-N 1 3 366.505 4.129 20 0 FIADHO Clc1cc(Br)ccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423130939 1096581183 /nfs/dbraw/zinc/58/11/83/1096581183.db2.gz HFEVGLHTAOOYQW-PBWFPOADSA-N 1 3 369.734 4.007 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000423133184 1096591172 /nfs/dbraw/zinc/59/11/72/1096591172.db2.gz VRTVWVDRTPFVSV-HXOBKFHXSA-N 1 3 368.569 4.001 20 0 FIADHO Fc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144514 1096596053 /nfs/dbraw/zinc/59/60/53/1096596053.db2.gz HHKHVYQQFBOOJY-TUNNFDKTSA-N 1 3 352.453 4.049 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423169636 1096601061 /nfs/dbraw/zinc/60/10/61/1096601061.db2.gz ZSBIZTKWPNLKJL-HNNXBMFYSA-N 1 3 359.464 4.143 20 0 FIADHO COc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000414720328 1096601232 /nfs/dbraw/zinc/60/12/32/1096601232.db2.gz BRZHWOMHINJLFW-FQEVSTJZSA-N 1 3 356.535 4.209 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292666 1096635827 /nfs/dbraw/zinc/63/58/27/1096635827.db2.gz NURYCSMUUFAIJF-SJORKVTESA-N 1 3 368.525 4.431 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423296625 1096644831 /nfs/dbraw/zinc/64/48/31/1096644831.db2.gz ZOXFTCOLFKJWPL-ZIAGYGMSSA-N 1 3 352.507 4.384 20 0 FIADHO Clc1cc(Br)ccc1[C@@H](NCC1=CC[NH2+]CC1)C1CC1 ZINC000423360615 1096656132 /nfs/dbraw/zinc/65/61/32/1096656132.db2.gz WGBZNXQKLIWPGJ-INIZCTEOSA-N 1 3 355.707 4.063 20 0 FIADHO C[C@@H](CCCC[NH3+])N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423445579 1096678440 /nfs/dbraw/zinc/67/84/40/1096678440.db2.gz YDJUVNPRWVDOBZ-GUYCJALGSA-N 1 3 351.288 4.239 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)N ZINC000423447468 1096679088 /nfs/dbraw/zinc/67/90/88/1096679088.db2.gz PBSCCJAANYYHGU-AXFHLTTASA-N 1 3 368.344 4.267 20 0 FIADHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423454003 1096699020 /nfs/dbraw/zinc/69/90/20/1096699020.db2.gz LFYSXRFTMWYMBA-SCLBCKFNSA-N 1 3 365.290 4.395 20 0 FIADHO C[N@@H+]1CCC[C@H](CNCc2c[nH]nc2-c2ccsc2)[C@@H]1c1cccs1 ZINC000436236205 1098859713 /nfs/dbraw/zinc/85/97/13/1098859713.db2.gz DSVLYZMKTLAZRX-AUUYWEPGSA-N 1 3 372.563 4.372 20 0 FIADHO C[N@H+]1CCC[C@H](CNCc2c[nH]nc2-c2ccsc2)[C@@H]1c1cccs1 ZINC000436236205 1098859732 /nfs/dbraw/zinc/85/97/32/1098859732.db2.gz DSVLYZMKTLAZRX-AUUYWEPGSA-N 1 3 372.563 4.372 20 0 FIADHO C[C@@H]1C[C@H](NCc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288031 1098903896 /nfs/dbraw/zinc/90/38/96/1098903896.db2.gz DNISEZHZTMEHJA-OXQOHEQNSA-N 1 3 366.534 4.281 20 0 FIADHO C[C@@H]1C[C@H](NCc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288031 1098903901 /nfs/dbraw/zinc/90/39/01/1098903901.db2.gz DNISEZHZTMEHJA-OXQOHEQNSA-N 1 3 366.534 4.281 20 0 FIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000515846351 1098978544 /nfs/dbraw/zinc/97/85/44/1098978544.db2.gz VUSQXTJGJACWER-OXQOHEQNSA-N 1 3 372.484 4.083 20 0 FIADHO C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000436403976 1098992579 /nfs/dbraw/zinc/99/25/79/1098992579.db2.gz AUWJAMPAECOLIU-SJLPKXTDSA-N 1 3 351.469 4.307 20 0 FIADHO CCN(Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000516118037 1099197326 /nfs/dbraw/zinc/19/73/26/1099197326.db2.gz RFWVBNSYCURFTR-UHFFFAOYSA-N 1 3 352.482 4.062 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000648592477 1099749714 /nfs/dbraw/zinc/74/97/14/1099749714.db2.gz GXKMFGQLEXZVBS-QAPCUYQASA-N 1 3 364.496 4.101 20 0 FIADHO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508713936 1099886231 /nfs/dbraw/zinc/88/62/31/1099886231.db2.gz AQHMRHPIGYHDDE-XLIONFOSSA-N 1 3 374.475 4.331 20 0 FIADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000516870695 1099898394 /nfs/dbraw/zinc/89/83/94/1099898394.db2.gz KVDJIISYHVGUIV-QUCCMNQESA-N 1 3 364.574 4.275 20 0 FIADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162743644 1099981060 /nfs/dbraw/zinc/98/10/60/1099981060.db2.gz BDUBKGOJOWQYAI-KRWDZBQOSA-N 1 3 365.521 4.089 20 0 FIADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162743644 1099981067 /nfs/dbraw/zinc/98/10/67/1099981067.db2.gz BDUBKGOJOWQYAI-KRWDZBQOSA-N 1 3 365.521 4.089 20 0 FIADHO CCOc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1OC(F)F ZINC000536695643 1100196464 /nfs/dbraw/zinc/19/64/64/1100196464.db2.gz KWQHGCMWSAWGNG-UHFFFAOYSA-N 1 3 370.484 4.241 20 0 FIADHO Cc1noc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459517729 1100256852 /nfs/dbraw/zinc/25/68/52/1100256852.db2.gz FWZPPSALFOUYMV-NRFANRHFSA-N 1 3 368.525 4.035 20 0 FIADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834949 1100345954 /nfs/dbraw/zinc/34/59/54/1100345954.db2.gz YUAWAHMAUFSGAA-UYAOXDASSA-N 1 3 354.542 4.199 20 0 FIADHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834949 1100345964 /nfs/dbraw/zinc/34/59/64/1100345964.db2.gz YUAWAHMAUFSGAA-UYAOXDASSA-N 1 3 354.542 4.199 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2cccs2)C2CCCC2)C[C@H](C)O1 ZINC000536857272 1100372553 /nfs/dbraw/zinc/37/25/53/1100372553.db2.gz KRFVCJUJJSJAEA-QKLQHJQFSA-N 1 3 350.572 4.458 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2cccs2)C2CCCC2)C[C@@H](C)O1 ZINC000536857268 1100372888 /nfs/dbraw/zinc/37/28/88/1100372888.db2.gz KRFVCJUJJSJAEA-HLIPFELVSA-N 1 3 350.572 4.458 20 0 FIADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000536882453 1100407641 /nfs/dbraw/zinc/40/76/41/1100407641.db2.gz NOVHRVMDJDDCNS-OAHLLOKOSA-N 1 3 365.359 4.377 20 0 FIADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000517786479 1100668401 /nfs/dbraw/zinc/66/84/01/1100668401.db2.gz YSOAZXIOJABPDP-MRXNPFEDSA-N 1 3 374.475 4.129 20 0 FIADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013764 1101393660 /nfs/dbraw/zinc/39/36/60/1101393660.db2.gz QODUNEOYGMFSCH-DNVJHFABSA-N 1 3 374.544 4.415 20 0 FIADHO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537190010 1101542014 /nfs/dbraw/zinc/54/20/14/1101542014.db2.gz OBZABMVZXSLYRQ-CBQOVEMMSA-N 1 3 372.553 4.015 20 0 FIADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000506610597 1101542354 /nfs/dbraw/zinc/54/23/54/1101542354.db2.gz JEBZPGKTFFEZGL-UHFFFAOYSA-N 1 3 372.340 4.127 20 0 FIADHO COc1ccc(CC2([NH3+])CCN([C@@H](C)Cc3ccc(Cl)cc3)CC2)cc1 ZINC001168166085 1101768449 /nfs/dbraw/zinc/76/84/49/1101768449.db2.gz HFAGNTCGWZQECZ-KRWDZBQOSA-N 1 3 372.940 4.316 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000120581258 1102235116 /nfs/dbraw/zinc/23/51/16/1102235116.db2.gz YYDSBKPIZCKXKO-KRWDZBQOSA-N 1 3 354.494 4.150 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000121238578 1102354236 /nfs/dbraw/zinc/35/42/36/1102354236.db2.gz JWXOKLWDAQWERD-MOPGFXCFSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000121238578 1102354248 /nfs/dbraw/zinc/35/42/48/1102354248.db2.gz JWXOKLWDAQWERD-MOPGFXCFSA-N 1 3 352.522 4.262 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000532485507 1102426930 /nfs/dbraw/zinc/42/69/30/1102426930.db2.gz QLQCLTYVGHZPBN-RDPSFJRHSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485507 1102426937 /nfs/dbraw/zinc/42/69/37/1102426937.db2.gz QLQCLTYVGHZPBN-RDPSFJRHSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485507 1102426946 /nfs/dbraw/zinc/42/69/46/1102426946.db2.gz QLQCLTYVGHZPBN-RDPSFJRHSA-N 1 3 364.533 4.227 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000506858839 1102861034 /nfs/dbraw/zinc/86/10/34/1102861034.db2.gz CLPXZMQORCHQPT-UHFFFAOYSA-N 1 3 367.537 4.214 20 0 FIADHO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271809 1102904202 /nfs/dbraw/zinc/90/42/02/1102904202.db2.gz XIMBYRNLJCAVDM-FCHUYYIVSA-N 1 3 370.581 4.474 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551175392 1102950143 /nfs/dbraw/zinc/95/01/43/1102950143.db2.gz IGXVCXLKQKSYQB-YYWHXJBOSA-N 1 3 354.469 4.247 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551175392 1102950148 /nfs/dbraw/zinc/95/01/48/1102950148.db2.gz IGXVCXLKQKSYQB-YYWHXJBOSA-N 1 3 354.469 4.247 20 0 FIADHO Cc1ccc2nc(CNCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246036 1103001174 /nfs/dbraw/zinc/00/11/74/1103001174.db2.gz PUUSGNMGPZUZDC-FPOVZHCZSA-N 1 3 362.521 4.033 20 0 FIADHO Cc1ccc2nc(CNCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246036 1103001186 /nfs/dbraw/zinc/00/11/86/1103001186.db2.gz PUUSGNMGPZUZDC-FPOVZHCZSA-N 1 3 362.521 4.033 20 0 FIADHO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000729682792 1103050821 /nfs/dbraw/zinc/05/08/21/1103050821.db2.gz MCSVSHNXHTWHLX-UHFFFAOYSA-N 1 3 374.960 4.272 20 0 FIADHO COc1cc(C)ccc1[C@@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551563904 1103365415 /nfs/dbraw/zinc/36/54/15/1103365415.db2.gz LWRDJBGPESEEEY-GOSISDBHSA-N 1 3 368.521 4.327 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCc4ccc5ccccc5n4)[C@@H]3C2)cc1 ZINC000507519018 1103463972 /nfs/dbraw/zinc/46/39/72/1103463972.db2.gz GQZBXBDWPMVYMT-QQKQFIJSSA-N 1 3 371.528 4.278 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)CCS2 ZINC000427542100 1103637649 /nfs/dbraw/zinc/63/76/49/1103637649.db2.gz VBSVYMCDFFWFOV-CMKODMSKSA-N 1 3 362.583 4.319 20 0 FIADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538262004 1104067319 /nfs/dbraw/zinc/06/73/19/1104067319.db2.gz DONXBMFKEWCTQI-DYESRHJHSA-N 1 3 368.496 4.335 20 0 FIADHO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538262007 1104067578 /nfs/dbraw/zinc/06/75/78/1104067578.db2.gz DONXBMFKEWCTQI-UWJYYQICSA-N 1 3 368.496 4.335 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000520205056 1104171216 /nfs/dbraw/zinc/17/12/16/1104171216.db2.gz QYSKMRGMVFLBLH-OAHLLOKOSA-N 1 3 369.347 4.202 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000520205056 1104171219 /nfs/dbraw/zinc/17/12/19/1104171219.db2.gz QYSKMRGMVFLBLH-OAHLLOKOSA-N 1 3 369.347 4.202 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@H](NC[C@@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152394307 1105075658 /nfs/dbraw/zinc/07/56/58/1105075658.db2.gz QEVKVYHOLCHCOX-MAUKXSAKSA-N 1 3 353.535 4.261 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@H](NC[C@@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394307 1105075665 /nfs/dbraw/zinc/07/56/65/1105075665.db2.gz QEVKVYHOLCHCOX-MAUKXSAKSA-N 1 3 353.535 4.261 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000531705608 1108083949 /nfs/dbraw/zinc/08/39/49/1108083949.db2.gz XCVGXNQFIXVWPM-OAQYLSRUSA-N 1 3 358.913 4.448 20 0 FIADHO OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531737520 1108107754 /nfs/dbraw/zinc/10/77/54/1108107754.db2.gz APMLVGSMVWJJAP-JOCHJYFZSA-N 1 3 370.924 4.074 20 0 FIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453053351 1108129775 /nfs/dbraw/zinc/12/97/75/1108129775.db2.gz ADFGVYKOMZBJFX-IBGZPJMESA-N 1 3 354.542 4.250 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054945 1108130807 /nfs/dbraw/zinc/13/08/07/1108130807.db2.gz CYFVFIVZJYFFJE-RBUKOAKNSA-N 1 3 354.542 4.250 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054945 1108130816 /nfs/dbraw/zinc/13/08/16/1108130816.db2.gz CYFVFIVZJYFFJE-RBUKOAKNSA-N 1 3 354.542 4.250 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(Cl)cc2)CC1 ZINC000531785482 1108178010 /nfs/dbraw/zinc/17/80/10/1108178010.db2.gz OTTXCNHXBNMGPL-UHFFFAOYSA-N 1 3 357.929 4.162 20 0 FIADHO CO[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289286 1108365408 /nfs/dbraw/zinc/36/54/08/1108365408.db2.gz LXRNINSGGLVCAE-JLLPCOHGSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289286 1108365424 /nfs/dbraw/zinc/36/54/24/1108365424.db2.gz LXRNINSGGLVCAE-JLLPCOHGSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@](C)(CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319421 1108408318 /nfs/dbraw/zinc/40/83/18/1108408318.db2.gz KUDADVQDLHAFNJ-UEQSERJNSA-N 1 3 364.533 4.333 20 0 FIADHO CO[C@](C)(CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319421 1108408323 /nfs/dbraw/zinc/40/83/23/1108408323.db2.gz KUDADVQDLHAFNJ-UEQSERJNSA-N 1 3 364.533 4.333 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000453353297 1108454880 /nfs/dbraw/zinc/45/48/80/1108454880.db2.gz NQMPXXNSRVRYOF-VYTWWXLVSA-N 1 3 350.506 4.194 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453353297 1108454883 /nfs/dbraw/zinc/45/48/83/1108454883.db2.gz NQMPXXNSRVRYOF-VYTWWXLVSA-N 1 3 350.506 4.194 20 0 FIADHO Cc1cc(Br)c(CNCc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000453577167 1108639255 /nfs/dbraw/zinc/63/92/55/1108639255.db2.gz WVKOVZNONXFITD-UHFFFAOYSA-N 1 3 371.319 4.310 20 0 FIADHO Clc1ccc(Br)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000446914549 1109388637 /nfs/dbraw/zinc/38/86/37/1109388637.db2.gz NGHIWNZXKAXNJT-UHFFFAOYSA-N 1 3 357.723 4.067 20 0 FIADHO Cc1cccc([C@@H](NCc2ccncc2OCCC[NH+](C)C)C(C)C)c1 ZINC000527898210 1109854014 /nfs/dbraw/zinc/85/40/14/1109854014.db2.gz HXVIAQMSSGMHAZ-QFIPXVFZSA-N 1 3 355.526 4.207 20 0 FIADHO CC(C)(C)N1CCC([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC1 ZINC000527938167 1109863537 /nfs/dbraw/zinc/86/35/37/1109863537.db2.gz GRCNBBXBVQEYQN-UHFFFAOYSA-N 1 3 374.573 4.245 20 0 FIADHO CC(=O)Nc1ccc(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000449123448 1109980928 /nfs/dbraw/zinc/98/09/28/1109980928.db2.gz CQEHNWYBNANSML-UHFFFAOYSA-N 1 3 373.585 4.456 20 0 FIADHO Cc1ccccc1-c1ccccc1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449184200 1109993991 /nfs/dbraw/zinc/99/39/91/1109993991.db2.gz DLBDBQIDDYIDGK-DNQXCXABSA-N 1 3 364.533 4.129 20 0 FIADHO CC[C@@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217387 1109999272 /nfs/dbraw/zinc/99/92/72/1109999272.db2.gz YVOSTITVVDSQAN-IIBYNOLFSA-N 1 3 355.526 4.428 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000449316962 1110030951 /nfs/dbraw/zinc/03/09/51/1110030951.db2.gz APKUFBXLNGLNQG-MSOLQXFVSA-N 1 3 362.521 4.309 20 0 FIADHO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343039 1110034516 /nfs/dbraw/zinc/03/45/16/1110034516.db2.gz HFXDGLUAUMKDHU-CTNGQTDRSA-N 1 3 358.570 4.330 20 0 FIADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000449393072 1110050399 /nfs/dbraw/zinc/05/03/99/1110050399.db2.gz LXRNINSGGLVCAE-NHYNNZIHSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000449393072 1110050400 /nfs/dbraw/zinc/05/04/00/1110050400.db2.gz LXRNINSGGLVCAE-NHYNNZIHSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000449393073 1110050591 /nfs/dbraw/zinc/05/05/91/1110050591.db2.gz LXRNINSGGLVCAE-UCBGAZFYSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000449393073 1110050598 /nfs/dbraw/zinc/05/05/98/1110050598.db2.gz LXRNINSGGLVCAE-UCBGAZFYSA-N 1 3 364.533 4.029 20 0 FIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)CN(C)C)o1 ZINC000026304083 1110094857 /nfs/dbraw/zinc/09/48/57/1110094857.db2.gz FGMRTRWRAXNTEN-UHFFFAOYSA-N 1 3 366.509 4.118 20 0 FIADHO CO[C@@H](c1ccccc1F)[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538407275 1111118398 /nfs/dbraw/zinc/11/83/98/1111118398.db2.gz RXIUVMBSKVPOFR-VGOFRKELSA-N 1 3 356.485 4.156 20 0 FIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1 ZINC000538409331 1111129234 /nfs/dbraw/zinc/12/92/34/1111129234.db2.gz MDZCAVYPKGUXFS-PCCBWWKXSA-N 1 3 362.533 4.270 20 0 FIADHO Cc1nccn1CCCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538664218 1111232903 /nfs/dbraw/zinc/23/29/03/1111232903.db2.gz ODNDTAMTEQRDPH-IBGZPJMESA-N 1 3 370.545 4.017 20 0 FIADHO Cc1nccn1CCCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538664218 1111232914 /nfs/dbraw/zinc/23/29/14/1111232914.db2.gz ODNDTAMTEQRDPH-IBGZPJMESA-N 1 3 370.545 4.017 20 0 FIADHO C[N@@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538730472 1111267382 /nfs/dbraw/zinc/26/73/82/1111267382.db2.gz NTZHGXOZZIMNMR-FQEVSTJZSA-N 1 3 374.475 4.284 20 0 FIADHO C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538730472 1111267385 /nfs/dbraw/zinc/26/73/85/1111267385.db2.gz NTZHGXOZZIMNMR-FQEVSTJZSA-N 1 3 374.475 4.284 20 0 FIADHO Cc1nn(C(C)C)cc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552273196 1111653726 /nfs/dbraw/zinc/65/37/26/1111653726.db2.gz XAGQEBZOVJOJJB-UHFFFAOYSA-N 1 3 366.553 4.261 20 0 FIADHO CCCCN1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479081493 1111945954 /nfs/dbraw/zinc/94/59/54/1111945954.db2.gz UULNHKPKEUOURB-OAQYLSRUSA-N 1 3 352.526 4.104 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@H]3CCCc4nn(C)cc43)cc2)C1 ZINC000479363205 1112006615 /nfs/dbraw/zinc/00/66/15/1112006615.db2.gz PKJZDGMOLBFEPQ-HMFYCAOWSA-N 1 3 366.553 4.065 20 0 FIADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCS2 ZINC000479466314 1112041537 /nfs/dbraw/zinc/04/15/37/1112041537.db2.gz RLQLWBDPXIQRPN-PXNSSMCTSA-N 1 3 356.510 4.474 20 0 FIADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000554087125 1112198901 /nfs/dbraw/zinc/19/89/01/1112198901.db2.gz UJDROACQUPLQJW-YPAWHYETSA-N 1 3 358.570 4.330 20 0 FIADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000480148053 1112302227 /nfs/dbraw/zinc/30/22/27/1112302227.db2.gz PQIWXWQFOQNZJG-XUZZJYLKSA-N 1 3 365.565 4.009 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000480148055 1112302614 /nfs/dbraw/zinc/30/26/14/1112302614.db2.gz PQIWXWQFOQNZJG-ZJSXRUAMSA-N 1 3 365.565 4.009 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000480257697 1112347761 /nfs/dbraw/zinc/34/77/61/1112347761.db2.gz CFAYFLRGYKVHNR-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000480257697 1112347763 /nfs/dbraw/zinc/34/77/63/1112347763.db2.gz CFAYFLRGYKVHNR-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000480603341 1112504360 /nfs/dbraw/zinc/50/43/60/1112504360.db2.gz RUTLECPFLHFQDZ-BBWFWOEESA-N 1 3 366.521 4.252 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000480603341 1112504364 /nfs/dbraw/zinc/50/43/64/1112504364.db2.gz RUTLECPFLHFQDZ-BBWFWOEESA-N 1 3 366.521 4.252 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[NH+]2CCC(C)CC2)cc1OC ZINC000480641622 1112517718 /nfs/dbraw/zinc/51/77/18/1112517718.db2.gz QCGXXZTXPDWKOF-MRXNPFEDSA-N 1 3 352.494 4.006 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2c(C3CCC3)cnn2C)CC1)CC1CC1 ZINC000667758031 1112630462 /nfs/dbraw/zinc/63/04/62/1112630462.db2.gz SILJRXUVVZBKKN-UHFFFAOYSA-N 1 3 358.574 4.022 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2c(C3CCC3)cnn2C)CC1)CC1CC1 ZINC000667758031 1112630465 /nfs/dbraw/zinc/63/04/65/1112630465.db2.gz SILJRXUVVZBKKN-UHFFFAOYSA-N 1 3 358.574 4.022 20 0 FIADHO CCC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000480888918 1112648791 /nfs/dbraw/zinc/64/87/91/1112648791.db2.gz JAEIKYPQOQTZSA-HSZRJFAPSA-N 1 3 351.538 4.065 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000481306788 1112880222 /nfs/dbraw/zinc/88/02/22/1112880222.db2.gz NAKMVCGROFNVTB-HXUWFJFHSA-N 1 3 374.532 4.496 20 0 FIADHO Cc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618214 1112950039 /nfs/dbraw/zinc/95/00/39/1112950039.db2.gz FBHRDQKHMIOMFA-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1cccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618214 1112950040 /nfs/dbraw/zinc/95/00/40/1112950040.db2.gz FBHRDQKHMIOMFA-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618214 1112950041 /nfs/dbraw/zinc/95/00/41/1112950041.db2.gz FBHRDQKHMIOMFA-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326633 1113226232 /nfs/dbraw/zinc/22/62/32/1113226232.db2.gz ZDZURPNMNTWDMG-KSSFIOAISA-N 1 3 356.432 4.283 20 0 FIADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1OC ZINC000482433642 1113253086 /nfs/dbraw/zinc/25/30/86/1113253086.db2.gz CWKVAGBFXQDVDK-UNMCSNQZSA-N 1 3 352.522 4.301 20 0 FIADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482445254 1113258615 /nfs/dbraw/zinc/25/86/15/1113258615.db2.gz ISDJNYYEPXTVJU-FYYLOGMGSA-N 1 3 364.533 4.363 20 0 FIADHO CCc1nc(C)c([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000482892635 1113392017 /nfs/dbraw/zinc/39/20/17/1113392017.db2.gz AAYDROZPSNGPGC-INIZCTEOSA-N 1 3 373.566 4.339 20 0 FIADHO C[NH+]1CCC(N(Cc2cc3ccncc3s2)Cc2ccccc2)CC1 ZINC000668171186 1113403040 /nfs/dbraw/zinc/40/30/40/1113403040.db2.gz GQLNZMFUKTWAQG-UHFFFAOYSA-N 1 3 351.519 4.393 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000483137036 1113446247 /nfs/dbraw/zinc/44/62/47/1113446247.db2.gz SZXDMYGEAAPVQU-AOIWGVFYSA-N 1 3 364.599 4.415 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000483137036 1113446248 /nfs/dbraw/zinc/44/62/48/1113446248.db2.gz SZXDMYGEAAPVQU-AOIWGVFYSA-N 1 3 364.599 4.415 20 0 FIADHO COc1ccc2oc(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc2c1 ZINC000486374958 1113556119 /nfs/dbraw/zinc/55/61/19/1113556119.db2.gz MTIGZBKBAUKKQX-MJGOQNOKSA-N 1 3 364.489 4.442 20 0 FIADHO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486461860 1113572872 /nfs/dbraw/zinc/57/28/72/1113572872.db2.gz PQAOILFBWFSTDI-ZUAAASGPSA-N 1 3 350.506 4.209 20 0 FIADHO CCOc1cc2nccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2cc1OCC ZINC000488243316 1113887209 /nfs/dbraw/zinc/88/72/09/1113887209.db2.gz WHESPAUXXFXYHB-QGZVFWFLSA-N 1 3 369.509 4.097 20 0 FIADHO c1ccc(-c2nc3ccccn3c2CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488434179 1113929648 /nfs/dbraw/zinc/92/96/48/1113929648.db2.gz KBMXYRILLHGMMA-UHFFFAOYSA-N 1 3 374.532 4.309 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CCC3)cc1 ZINC000571073951 1114431573 /nfs/dbraw/zinc/43/15/73/1114431573.db2.gz NZWIEJNZVSLQIS-BRWVUGGUSA-N 1 3 357.523 4.056 20 0 FIADHO CC[N@H+](CCC1CCN(CCC(=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000539727288 1116372169 /nfs/dbraw/zinc/37/21/69/1116372169.db2.gz TVIPVWVQIVTYOY-UHFFFAOYSA-N 1 3 360.517 4.233 20 0 FIADHO CC[N@@H+](CCC1CCN(CCC(=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000539727288 1116372170 /nfs/dbraw/zinc/37/21/70/1116372170.db2.gz TVIPVWVQIVTYOY-UHFFFAOYSA-N 1 3 360.517 4.233 20 0 FIADHO Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CCN(Cc4ccoc4)C3)CC1)C2 ZINC001168432551 1117746423 /nfs/dbraw/zinc/74/64/23/1117746423.db2.gz WKCFBMSQUGQYNP-JOCHJYFZSA-N 1 3 368.496 4.264 20 0 FIADHO Oc1cccc2c1CCC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000462812260 1117782329 /nfs/dbraw/zinc/78/23/29/1117782329.db2.gz GZEUSWQQICTARQ-QFIPXVFZSA-N 1 3 366.505 4.034 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000540171646 1117913575 /nfs/dbraw/zinc/91/35/75/1117913575.db2.gz UOGGBEZLSQYOSU-FCEWJHQRSA-N 1 3 366.933 4.033 20 0 FIADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)F ZINC000540172694 1117913626 /nfs/dbraw/zinc/91/36/26/1117913626.db2.gz SBTCVUCLFZKZSR-NUJGCVRESA-N 1 3 370.484 4.218 20 0 FIADHO CCc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175339 1117915940 /nfs/dbraw/zinc/91/59/40/1117915940.db2.gz UFNZYOQEANTBRL-VGOFRKELSA-N 1 3 368.521 4.364 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074794 1117958764 /nfs/dbraw/zinc/95/87/64/1117958764.db2.gz IZJFYACBMKLKRG-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074794 1117958769 /nfs/dbraw/zinc/95/87/69/1117958769.db2.gz IZJFYACBMKLKRG-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140044 1117987321 /nfs/dbraw/zinc/98/73/21/1117987321.db2.gz KACCDRZDIKBAQD-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140044 1117987326 /nfs/dbraw/zinc/98/73/26/1117987326.db2.gz KACCDRZDIKBAQD-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO COC(=O)c1oc([C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)cc1C ZINC000540337972 1117990569 /nfs/dbraw/zinc/99/05/69/1117990569.db2.gz IGAIDNJZUMBJGL-KRWDZBQOSA-N 1 3 362.514 4.024 20 0 FIADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394211 1118027527 /nfs/dbraw/zinc/02/75/27/1118027527.db2.gz IZUOSPRGEGLDIJ-KURKYZTESA-N 1 3 373.566 4.003 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)C1 ZINC000540409270 1118037599 /nfs/dbraw/zinc/03/75/99/1118037599.db2.gz UZFOLHSJSAKFIN-AHIWAGSCSA-N 1 3 369.372 4.163 20 0 FIADHO CCC1(CC)[C@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@@H]1OC ZINC000540494196 1118091629 /nfs/dbraw/zinc/09/16/29/1118091629.db2.gz XJIGVLLMYXPFDA-NRSPTQNISA-N 1 3 372.553 4.158 20 0 FIADHO CC[NH+]1CCC(N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778301 1118240876 /nfs/dbraw/zinc/24/08/76/1118240876.db2.gz HWGASQFLBXCVKT-PMACEKPBSA-N 1 3 367.940 4.077 20 0 FIADHO CCC[NH+]1CCC(CNCc2cc(Cl)ccc2Br)CC1 ZINC000464049379 1118413667 /nfs/dbraw/zinc/41/36/67/1118413667.db2.gz KWHHSJYZQCUVGP-UHFFFAOYSA-N 1 3 359.739 4.314 20 0 FIADHO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541666471 1118596967 /nfs/dbraw/zinc/59/69/67/1118596967.db2.gz BKSUWRVPWGEFRB-FQEVSTJZSA-N 1 3 365.565 4.250 20 0 FIADHO CC[N@H+](C)C[C@@H]1CCN(CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699727 /nfs/dbraw/zinc/69/97/27/1118699727.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 1 3 351.332 4.126 20 0 FIADHO CC[N@@H+](C)C[C@@H]1CCN(CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699730 /nfs/dbraw/zinc/69/97/30/1118699730.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@@H]1CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699731 /nfs/dbraw/zinc/69/97/31/1118699731.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791425 1118699734 /nfs/dbraw/zinc/69/97/34/1118699734.db2.gz TWRVHSBXBYWBJU-YXMMZVCTSA-N 1 3 351.332 4.126 20 0 FIADHO CC[N@H+](C)C[C@H]1CCN(CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700029 /nfs/dbraw/zinc/70/00/29/1118700029.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 1 3 351.332 4.126 20 0 FIADHO CC[N@@H+](C)C[C@H]1CCN(CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700032 /nfs/dbraw/zinc/70/00/32/1118700032.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@H]1CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700035 /nfs/dbraw/zinc/70/00/35/1118700035.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000464791423 1118700038 /nfs/dbraw/zinc/70/00/38/1118700038.db2.gz TWRVHSBXBYWBJU-UKINESCASA-N 1 3 351.332 4.126 20 0 FIADHO C[C@@H](C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)CN(C)C ZINC000491544817 1118962436 /nfs/dbraw/zinc/96/24/36/1118962436.db2.gz JPABYTGAIHATGK-HNNXBMFYSA-N 1 3 362.949 4.246 20 0 FIADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000173320211 1119032495 /nfs/dbraw/zinc/03/24/95/1119032495.db2.gz LKMQKKKPHBUOBX-KRWDZBQOSA-N 1 3 356.510 4.395 20 0 FIADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000173320211 1119032498 /nfs/dbraw/zinc/03/24/98/1119032498.db2.gz LKMQKKKPHBUOBX-KRWDZBQOSA-N 1 3 356.510 4.395 20 0 FIADHO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311491845 1119376809 /nfs/dbraw/zinc/37/68/09/1119376809.db2.gz CFPPSZIMPIFVME-WGGBDISSSA-N 1 3 350.506 4.270 20 0 FIADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000178306973 1119383500 /nfs/dbraw/zinc/38/35/00/1119383500.db2.gz YMNUOOWDPNTARA-QHCPKHFHSA-N 1 3 364.533 4.156 20 0 FIADHO CC1(C)C[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000178306973 1119383505 /nfs/dbraw/zinc/38/35/05/1119383505.db2.gz YMNUOOWDPNTARA-QHCPKHFHSA-N 1 3 364.533 4.156 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817348 1119390586 /nfs/dbraw/zinc/39/05/86/1119390586.db2.gz PSSUEVXMTNUIIS-WMZOPIPTSA-N 1 3 360.448 4.461 20 0 FIADHO c1ccc(N2CC[C@@H](C[NH2+]C3CCN(CC4CCCCC4)CC3)C2)cc1 ZINC000152543263 1119446263 /nfs/dbraw/zinc/44/62/63/1119446263.db2.gz GOPQCYUGKLMALZ-NRFANRHFSA-N 1 3 355.570 4.147 20 0 FIADHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192929411 1120090934 /nfs/dbraw/zinc/09/09/34/1120090934.db2.gz QMIPIENNOAASIZ-JOCHJYFZSA-N 1 3 374.532 4.101 20 0 FIADHO CCO[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000193432045 1120143145 /nfs/dbraw/zinc/14/31/45/1120143145.db2.gz VVCPEZYKFHZWJF-HSZRJFAPSA-N 1 3 370.512 4.200 20 0 FIADHO COC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(Cl)cc1 ZINC000194042968 1120233340 /nfs/dbraw/zinc/23/33/40/1120233340.db2.gz RFXUCVZMHDDBGF-LJQANCHMSA-N 1 3 350.865 4.018 20 0 FIADHO c1ccc(C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc2)cc1 ZINC000495485877 1120855282 /nfs/dbraw/zinc/85/52/82/1120855282.db2.gz YOUSSUKBOCDDCX-HSZRJFAPSA-N 1 3 364.533 4.205 20 0 FIADHO CC[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000236918708 1120971299 /nfs/dbraw/zinc/97/12/99/1120971299.db2.gz CTBURQVGGHMSNC-QHCPKHFHSA-N 1 3 352.522 4.443 20 0 FIADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc3occc3c2)CC1 ZINC000671716130 1121431208 /nfs/dbraw/zinc/43/12/08/1121431208.db2.gz JJLUYVGLGNWELZ-UHFFFAOYSA-N 1 3 369.896 4.128 20 0 FIADHO Brc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166263012 1121467568 /nfs/dbraw/zinc/46/75/68/1121467568.db2.gz KXZMXNJILWYYTB-ZWKOTPCHSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166263012 1121467574 /nfs/dbraw/zinc/46/75/74/1121467574.db2.gz KXZMXNJILWYYTB-ZWKOTPCHSA-N 1 3 363.343 4.087 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000061070295 1121506839 /nfs/dbraw/zinc/50/68/39/1121506839.db2.gz JANGABNVBJQWAE-UHFFFAOYSA-N 1 3 373.544 4.267 20 0 FIADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593538 1121711013 /nfs/dbraw/zinc/71/10/13/1121711013.db2.gz LHHILKRBXDCPTO-VXKWHMMOSA-N 1 3 354.538 4.246 20 0 FIADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593538 1121711018 /nfs/dbraw/zinc/71/10/18/1121711018.db2.gz LHHILKRBXDCPTO-VXKWHMMOSA-N 1 3 354.538 4.246 20 0 FIADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497867175 1122452996 /nfs/dbraw/zinc/45/29/96/1122452996.db2.gz INCDKBFVPDUZLO-LAUBAEHRSA-N 1 3 357.542 4.136 20 0 FIADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556232842 1122749667 /nfs/dbraw/zinc/74/96/67/1122749667.db2.gz LGNIDBIDOUUSCD-BHIFYINESA-N 1 3 356.554 4.084 20 0 FIADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556871815 1123153811 /nfs/dbraw/zinc/15/38/11/1123153811.db2.gz MXXHRQKNRHDLBI-YPIGPJMWSA-N 1 3 358.570 4.066 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000556887496 1123164232 /nfs/dbraw/zinc/16/42/32/1123164232.db2.gz YKBVIFKIDPXNGC-OEMFJLHTSA-N 1 3 363.549 4.295 20 0 FIADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc2n[nH]cc2c1 ZINC000556923534 1123233010 /nfs/dbraw/zinc/23/30/10/1123233010.db2.gz KWIJFDYDYRLPFL-YOVFKVCWSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc2n[nH]cc2c1 ZINC000556923534 1123233015 /nfs/dbraw/zinc/23/30/15/1123233015.db2.gz KWIJFDYDYRLPFL-YOVFKVCWSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccc2n[nH]cc2c1 ZINC000556923534 1123233020 /nfs/dbraw/zinc/23/30/20/1123233020.db2.gz KWIJFDYDYRLPFL-YOVFKVCWSA-N 1 3 360.505 4.124 20 0 FIADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1C ZINC000499144488 1123285834 /nfs/dbraw/zinc/28/58/34/1123285834.db2.gz DINVWEVKFXWUFR-DKUWSORSSA-N 1 3 350.506 4.289 20 0 FIADHO CCc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499173534 1123306162 /nfs/dbraw/zinc/30/61/62/1123306162.db2.gz WJEOSLZANXWEIT-JLLPCOHGSA-N 1 3 364.533 4.068 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235279 1123342805 /nfs/dbraw/zinc/34/28/05/1123342805.db2.gz PYZPTCJQGFDWIY-WLRLJWMZSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235279 1123342808 /nfs/dbraw/zinc/34/28/08/1123342808.db2.gz PYZPTCJQGFDWIY-WLRLJWMZSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235281 1123342875 /nfs/dbraw/zinc/34/28/75/1123342875.db2.gz PYZPTCJQGFDWIY-ZIBCJSCZSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235281 1123342879 /nfs/dbraw/zinc/34/28/79/1123342879.db2.gz PYZPTCJQGFDWIY-ZIBCJSCZSA-N 1 3 368.496 4.378 20 0 FIADHO CC(C)N1CC[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619571 1124146718 /nfs/dbraw/zinc/14/67/18/1124146718.db2.gz ZPCADMNLYRVTPB-FCNFAXOHSA-N 1 3 367.940 4.075 20 0 FIADHO CC(C)N1CC[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619571 1124146724 /nfs/dbraw/zinc/14/67/24/1124146724.db2.gz ZPCADMNLYRVTPB-FCNFAXOHSA-N 1 3 367.940 4.075 20 0 FIADHO CCc1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000245702189 1124209770 /nfs/dbraw/zinc/20/97/70/1124209770.db2.gz MAHBLWOIVAUIIR-ACDBMABISA-N 1 3 355.551 4.033 20 0 FIADHO CCc1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000245702189 1124209775 /nfs/dbraw/zinc/20/97/75/1124209775.db2.gz MAHBLWOIVAUIIR-ACDBMABISA-N 1 3 355.551 4.033 20 0 FIADHO CN(C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754485 1124241205 /nfs/dbraw/zinc/24/12/05/1124241205.db2.gz UPDBWZHKOGZTQE-MXEMCNAFSA-N 1 3 369.578 4.136 20 0 FIADHO CN(C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754485 1124241210 /nfs/dbraw/zinc/24/12/10/1124241210.db2.gz UPDBWZHKOGZTQE-MXEMCNAFSA-N 1 3 369.578 4.136 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000246296238 1124438599 /nfs/dbraw/zinc/43/85/99/1124438599.db2.gz CTIHQGANNQOVFK-PWIZWCRZSA-N 1 3 362.583 4.217 20 0 FIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000542848571 1124449215 /nfs/dbraw/zinc/44/92/15/1124449215.db2.gz RWLYHQQSGKKLPQ-XMSQKQJNSA-N 1 3 370.924 4.074 20 0 FIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000542848571 1124449218 /nfs/dbraw/zinc/44/92/18/1124449218.db2.gz RWLYHQQSGKKLPQ-XMSQKQJNSA-N 1 3 370.924 4.074 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247943601 1124732028 /nfs/dbraw/zinc/73/20/28/1124732028.db2.gz DGULPJOWVQFVNU-BXWFABGCSA-N 1 3 368.949 4.136 20 0 FIADHO CCN1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248444838 1124769074 /nfs/dbraw/zinc/76/90/74/1124769074.db2.gz WHJGPTHPVNENEH-WOJBJXKFSA-N 1 3 367.940 4.077 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000249117071 1124845585 /nfs/dbraw/zinc/84/55/85/1124845585.db2.gz SMNVHPMCUHJNRA-IRXDYDNUSA-N 1 3 356.407 4.093 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000249117071 1124845595 /nfs/dbraw/zinc/84/55/95/1124845595.db2.gz SMNVHPMCUHJNRA-IRXDYDNUSA-N 1 3 356.407 4.093 20 0 FIADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000186902572 568007384 /nfs/dbraw/zinc/00/73/84/568007384.db2.gz FCIQNNPWHQDOSJ-QWHCGFSZSA-N 1 3 360.315 4.144 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333622 /nfs/dbraw/zinc/33/36/22/568333622.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333623 /nfs/dbraw/zinc/33/36/23/568333623.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCC[N@@H+](CC[C@H](C)N2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333624 /nfs/dbraw/zinc/33/36/24/568333624.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCC[N@H+](CC[C@H](C)N2CCC[C@H](OCCC)CC2)CC1 ZINC000431594910 568333625 /nfs/dbraw/zinc/33/36/25/568333625.db2.gz HGBMYOQDTOZKBJ-BDTNDASRSA-N 1 3 368.606 4.327 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCc2nccs2)cc1CN1CCCCC1 ZINC000182694707 1125600888 /nfs/dbraw/zinc/60/08/88/1125600888.db2.gz JZTKIAMLJOJWLC-MRXNPFEDSA-N 1 3 359.539 4.031 20 0 FIADHO CCOc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000152774832 1125649890 /nfs/dbraw/zinc/64/98/90/1125649890.db2.gz LQFITOKNWYXJJS-MRXNPFEDSA-N 1 3 360.473 4.016 20 0 FIADHO COc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)cc1CN1CCCCC1 ZINC000182851882 1125656915 /nfs/dbraw/zinc/65/69/15/1125656915.db2.gz DZDJFYFGCUZVDB-SFHVURJKSA-N 1 3 368.521 4.024 20 0 FIADHO Brc1ccccc1C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547241 1079678072 /nfs/dbraw/zinc/67/80/72/1079678072.db2.gz BSOHHACQNCDQIP-WMZOPIPTSA-N 1 3 363.343 4.035 20 0 FIADHO Brc1c2ccccc2oc1CNCC1CC[NH+](C2CC2)CC1 ZINC000655766215 1081182511 /nfs/dbraw/zinc/18/25/11/1081182511.db2.gz BPQFGADZPDYBJW-UHFFFAOYSA-N 1 3 363.299 4.159 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000655804941 1081211532 /nfs/dbraw/zinc/21/15/32/1081211532.db2.gz GSEQMYRXVVXQDP-OXFYSEKESA-N 1 3 373.338 4.468 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000655820806 1081232041 /nfs/dbraw/zinc/23/20/41/1081232041.db2.gz LYBTVNYICCQRNX-IAGOWNOFSA-N 1 3 368.443 4.223 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000655820806 1081232046 /nfs/dbraw/zinc/23/20/46/1081232046.db2.gz LYBTVNYICCQRNX-IAGOWNOFSA-N 1 3 368.443 4.223 20 0 FIADHO Cc1ncncc1[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000579972388 1081315098 /nfs/dbraw/zinc/31/50/98/1081315098.db2.gz VZWJQINTIMCYIP-OAHLLOKOSA-N 1 3 358.917 4.001 20 0 FIADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000683816216 1081618375 /nfs/dbraw/zinc/61/83/75/1081618375.db2.gz NBZSUICJKYXKQM-LSWJPFSZSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816216 1081618383 /nfs/dbraw/zinc/61/83/83/1081618383.db2.gz NBZSUICJKYXKQM-LSWJPFSZSA-N 1 3 352.522 4.264 20 0 FIADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)c2ccccc21 ZINC000580218709 1081757368 /nfs/dbraw/zinc/75/73/68/1081757368.db2.gz UOSXUTKFOHCQBA-FCHUYYIVSA-N 1 3 370.537 4.165 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H](c1ccccc1)N(C)C ZINC000471585483 1081984643 /nfs/dbraw/zinc/98/46/43/1081984643.db2.gz MKILJLNUKXBVDB-CQIJRDABSA-N 1 3 357.586 4.311 20 0 FIADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638072 1082060484 /nfs/dbraw/zinc/06/04/84/1082060484.db2.gz QAHCDRGUGOSIFU-UGKGYDQZSA-N 1 3 367.537 4.049 20 0 FIADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638072 1082060491 /nfs/dbraw/zinc/06/04/91/1082060491.db2.gz QAHCDRGUGOSIFU-UGKGYDQZSA-N 1 3 367.537 4.049 20 0 FIADHO CCCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398202625 1082116777 /nfs/dbraw/zinc/11/67/77/1082116777.db2.gz PXNDEWGKKDHYMU-XXBNENTESA-N 1 3 352.522 4.476 20 0 FIADHO CCCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398202625 1082116780 /nfs/dbraw/zinc/11/67/80/1082116780.db2.gz PXNDEWGKKDHYMU-XXBNENTESA-N 1 3 352.522 4.476 20 0 FIADHO Cc1cccc2c1OC[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000581101574 1082314889 /nfs/dbraw/zinc/31/48/89/1082314889.db2.gz MIZVAHPDPPJFQF-ODAXIHTASA-N 1 3 362.517 4.084 20 0 FIADHO Cc1cccc2c1OC[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101574 1082314898 /nfs/dbraw/zinc/31/48/98/1082314898.db2.gz MIZVAHPDPPJFQF-ODAXIHTASA-N 1 3 362.517 4.084 20 0 FIADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1scnc1C1CC1 ZINC000581429536 1082572241 /nfs/dbraw/zinc/57/22/41/1082572241.db2.gz PQYOHUZEVONNKQ-OALUTQOASA-N 1 3 355.551 4.193 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)CC2)c1 ZINC000581517869 1082633516 /nfs/dbraw/zinc/63/35/16/1082633516.db2.gz BLOJQRXOYSLZPN-GCJKJVERSA-N 1 3 356.554 4.360 20 0 FIADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167609 1082705005 /nfs/dbraw/zinc/70/50/05/1082705005.db2.gz MFKWNLMDOZINFY-UXHICEINSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167609 1082705008 /nfs/dbraw/zinc/70/50/08/1082705008.db2.gz MFKWNLMDOZINFY-UXHICEINSA-N 1 3 369.578 4.138 20 0 FIADHO Clc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000656682896 1082714503 /nfs/dbraw/zinc/71/45/03/1082714503.db2.gz HWYHNIDKPQBROB-OAQYLSRUSA-N 1 3 355.913 4.224 20 0 FIADHO COc1ccccc1/C=C\CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684412469 1082861105 /nfs/dbraw/zinc/86/11/05/1082861105.db2.gz LURCKWKNINXZIA-XQRVVYSFSA-N 1 3 368.443 4.103 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Br ZINC000430762017 1083156102 /nfs/dbraw/zinc/15/61/02/1083156102.db2.gz NNLDWTHMSOMSNN-FPCVCCKLSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Br ZINC000430762017 1083156110 /nfs/dbraw/zinc/15/61/10/1083156110.db2.gz NNLDWTHMSOMSNN-FPCVCCKLSA-N 1 3 367.306 4.051 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318718 1083406487 /nfs/dbraw/zinc/40/64/87/1083406487.db2.gz SJLVZDQOFSVSEW-FGZHOGPDSA-N 1 3 361.533 4.351 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000510980643 1083556340 /nfs/dbraw/zinc/55/63/40/1083556340.db2.gz YMVBCEVJQZTXKJ-WVBUVRCRSA-N 1 3 368.496 4.322 20 0 FIADHO c1c2ccncc2sc1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657335324 1084622501 /nfs/dbraw/zinc/62/25/01/1084622501.db2.gz NQBUIWRSTRKXNY-SFHVURJKSA-N 1 3 351.519 4.298 20 0 FIADHO c1c2ccncc2sc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335324 1084622508 /nfs/dbraw/zinc/62/25/08/1084622508.db2.gz NQBUIWRSTRKXNY-SFHVURJKSA-N 1 3 351.519 4.298 20 0 FIADHO Cc1cccc2[nH]c(CNCc3ccc(OCCC[NH+](C)C)cc3)cc21 ZINC000657351835 1084694721 /nfs/dbraw/zinc/69/47/21/1084694721.db2.gz GOWGTUKERVWLFS-UHFFFAOYSA-N 1 3 351.494 4.097 20 0 FIADHO COc1ccc([C@@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191433 1084775504 /nfs/dbraw/zinc/77/55/04/1084775504.db2.gz RWYKEDIKKRPDBM-VGSWGCGISA-N 1 3 356.485 4.245 20 0 FIADHO COc1ccc([C@@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191433 1084775510 /nfs/dbraw/zinc/77/55/10/1084775510.db2.gz RWYKEDIKKRPDBM-VGSWGCGISA-N 1 3 356.485 4.245 20 0 FIADHO C[C@H](NCc1cnccc1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000414240338 1084890359 /nfs/dbraw/zinc/89/03/59/1084890359.db2.gz ZVWGKEWILJJZOD-KRWDZBQOSA-N 1 3 355.526 4.170 20 0 FIADHO CC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000414298268 1084991710 /nfs/dbraw/zinc/99/17/10/1084991710.db2.gz GWMUAHPQOVOLSW-OAQYLSRUSA-N 1 3 374.475 4.033 20 0 FIADHO C[N@H+](Cc1ccccc1NC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237167023 1085097630 /nfs/dbraw/zinc/09/76/30/1085097630.db2.gz JSJAHWJTQCCTFW-OAQYLSRUSA-N 1 3 365.521 4.480 20 0 FIADHO C[N@@H+](Cc1ccccc1NC(=O)C[C@@H](N)c1ccccc1)C1CCCCC1 ZINC000237167023 1085097636 /nfs/dbraw/zinc/09/76/36/1085097636.db2.gz JSJAHWJTQCCTFW-OAQYLSRUSA-N 1 3 365.521 4.480 20 0 FIADHO CN1CC[C@]2(C1)CCC[N@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653648 1085202745 /nfs/dbraw/zinc/20/27/45/1085202745.db2.gz UCFFJHWSTKETGI-DEOSSOPVSA-N 1 3 364.533 4.210 20 0 FIADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653648 1085202749 /nfs/dbraw/zinc/20/27/49/1085202749.db2.gz UCFFJHWSTKETGI-DEOSSOPVSA-N 1 3 364.533 4.210 20 0 FIADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)c2ccccc21 ZINC000549528368 1085363379 /nfs/dbraw/zinc/36/33/79/1085363379.db2.gz XZARLXYKYMHOPJ-DUXKGJEZSA-N 1 3 358.526 4.022 20 0 FIADHO CCSc1cccc(CN2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000473131415 1085724374 /nfs/dbraw/zinc/72/43/74/1085724374.db2.gz HTSSNHUOSHCCSK-UHFFFAOYSA-N 1 3 350.572 4.121 20 0 FIADHO COc1ccccc1-c1nc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662311206 1086410059 /nfs/dbraw/zinc/41/00/59/1086410059.db2.gz AFLFDARHRRJCBS-CRAIPNDOSA-N 1 3 359.539 4.158 20 0 FIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432438974 1086770910 /nfs/dbraw/zinc/77/09/10/1086770910.db2.gz DYVYDLPALHEXSN-CCRGXQTGSA-N 1 3 351.332 4.158 20 0 FIADHO CCc1ccc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cn1 ZINC000512113484 1086782831 /nfs/dbraw/zinc/78/28/31/1086782831.db2.gz DGIYRKPLRGRHQK-RTBURBONSA-N 1 3 351.538 4.412 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845364 1087291924 /nfs/dbraw/zinc/29/19/24/1087291924.db2.gz NJAPFPCXTFDFPG-SJORKVTESA-N 1 3 356.510 4.240 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845364 1087291929 /nfs/dbraw/zinc/29/19/29/1087291929.db2.gz NJAPFPCXTFDFPG-SJORKVTESA-N 1 3 356.510 4.240 20 0 FIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2nc3ccccc3n2C)CC1 ZINC000090050260 1087401527 /nfs/dbraw/zinc/40/15/27/1087401527.db2.gz VRGQPLYWPORKMW-GHTZIAJQSA-N 1 3 368.569 4.139 20 0 FIADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Br)c(Cl)c1 ZINC000658028394 1087699027 /nfs/dbraw/zinc/69/90/27/1087699027.db2.gz DHQWBBNMSMDJSK-HLVVYCRESA-N 1 3 357.723 4.378 20 0 FIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccnc3ccccc23)CC1 ZINC000658128196 1087733706 /nfs/dbraw/zinc/73/37/06/1087733706.db2.gz TYBZJLJGFULGBQ-JPYJTQIMSA-N 1 3 351.538 4.410 20 0 FIADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658161761 1087749895 /nfs/dbraw/zinc/74/98/95/1087749895.db2.gz AKEMXKILQKCKRQ-HSZRJFAPSA-N 1 3 374.532 4.442 20 0 FIADHO Cc1cccc(C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)c1 ZINC000658163792 1087757333 /nfs/dbraw/zinc/75/73/33/1087757333.db2.gz AZOYNZORPCEZNP-XMMPIXPASA-N 1 3 363.549 4.213 20 0 FIADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164390 1087760673 /nfs/dbraw/zinc/76/06/73/1087760673.db2.gz CUPHJONXHKGQNC-HSZRJFAPSA-N 1 3 369.528 4.290 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(OC)c1 ZINC000658165274 1087762251 /nfs/dbraw/zinc/76/22/51/1087762251.db2.gz HRQKERGSQUENMM-JOCHJYFZSA-N 1 3 353.510 4.043 20 0 FIADHO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000186518849 1087916753 /nfs/dbraw/zinc/91/67/53/1087916753.db2.gz LEERLPGVMBDCHA-TXQGORRRSA-N 1 3 364.574 4.130 20 0 FIADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343561 1087953436 /nfs/dbraw/zinc/95/34/36/1087953436.db2.gz FTIAOXXFZRAASJ-USWKJHDZSA-N 1 3 356.554 4.082 20 0 FIADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414812618 1088225285 /nfs/dbraw/zinc/22/52/85/1088225285.db2.gz XOFSAXOAQGSOKR-OXQOHEQNSA-N 1 3 371.912 4.199 20 0 FIADHO Clc1ccc(Cl)c(-c2csc(CNCC[C@H]3CC[NH2+]C3)n2)c1 ZINC000414824155 1088310706 /nfs/dbraw/zinc/31/07/06/1088310706.db2.gz AIOMCUHPLDPLTI-LLVKDONJSA-N 1 3 356.322 4.206 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000467314249 1088385744 /nfs/dbraw/zinc/38/57/44/1088385744.db2.gz JXWLXQRZHVCTLL-NRFANRHFSA-N 1 3 356.485 4.453 20 0 FIADHO CC(C)C[C@H](CN)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414856354 1089070507 /nfs/dbraw/zinc/07/05/07/1089070507.db2.gz YPWSMIIPJPJRGY-QGZVFWFLSA-N 1 3 359.901 4.055 20 0 FIADHO COc1cc(Br)ccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415045456 1089089334 /nfs/dbraw/zinc/08/93/34/1089089334.db2.gz BSFRGRWZZZLJNJ-KRWDZBQOSA-N 1 3 363.299 4.028 20 0 FIADHO COc1c(Br)cccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415044670 1089091125 /nfs/dbraw/zinc/09/11/25/1089091125.db2.gz AWAXILWYZZSCRJ-KRWDZBQOSA-N 1 3 363.299 4.028 20 0 FIADHO CC(C)Cc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000894303103 1089166803 /nfs/dbraw/zinc/16/68/03/1089166803.db2.gz YKPQLWCHHUMFGX-UHFFFAOYSA-N 1 3 367.537 4.043 20 0 FIADHO FC(F)(F)[C@@H]1CC(N[C@@H]2CC[NH2+]C23CCCC3)C[C@@H](C(F)(F)F)C1 ZINC000925527629 1090270626 /nfs/dbraw/zinc/27/06/26/1090270626.db2.gz WAKSJMKUYJUCGV-GMXVVIOVSA-N 1 3 358.370 4.160 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)ccc1OC ZINC000182629046 1090364434 /nfs/dbraw/zinc/36/44/34/1090364434.db2.gz PBXNCPGHCPGKAN-IIBYNOLFSA-N 1 3 374.500 4.060 20 0 FIADHO Fc1ccc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000363863362 1090418385 /nfs/dbraw/zinc/41/83/85/1090418385.db2.gz KQVDCPTWPUDMDJ-RBBKRZOGSA-N 1 3 360.517 4.433 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366483 1090626715 /nfs/dbraw/zinc/62/67/15/1090626715.db2.gz AJEKEVHFDFVFEF-FPOVZHCZSA-N 1 3 360.505 4.045 20 0 FIADHO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500129808 1091056259 /nfs/dbraw/zinc/05/62/59/1091056259.db2.gz BRZIEETXJVXOFS-OAQYLSRUSA-N 1 3 365.993 4.385 20 0 FIADHO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500129808 1091056268 /nfs/dbraw/zinc/05/62/68/1091056268.db2.gz BRZIEETXJVXOFS-OAQYLSRUSA-N 1 3 365.993 4.385 20 0 FIADHO Cc1ccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CCC2)cc1 ZINC000187377450 1091879013 /nfs/dbraw/zinc/87/90/13/1091879013.db2.gz REHGVGJTALBYSB-XPWALMASSA-N 1 3 356.554 4.194 20 0 FIADHO Fc1ccc(C(CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000613996230 1092018360 /nfs/dbraw/zinc/01/83/60/1092018360.db2.gz QWAOARZQMFFLBR-OALUTQOASA-N 1 3 356.460 4.028 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000236668655 1092408461 /nfs/dbraw/zinc/40/84/61/1092408461.db2.gz YEMUVCNGZVYJMK-UHFFFAOYSA-N 1 3 374.912 4.241 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000236668655 1092408469 /nfs/dbraw/zinc/40/84/69/1092408469.db2.gz YEMUVCNGZVYJMK-UHFFFAOYSA-N 1 3 374.912 4.241 20 0 FIADHO Cc1ccccc1[C@H]([C@@H](C)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000443193776 1092983621 /nfs/dbraw/zinc/98/36/21/1092983621.db2.gz NDLLPFLYWGUUIX-XXBNENTESA-N 1 3 357.586 4.373 20 0 FIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CO)CC(c3ccccc3)C2)CC1 ZINC000433076212 1093203186 /nfs/dbraw/zinc/20/31/86/1093203186.db2.gz MVDTYVBIZJTCCR-BXDDPRONSA-N 1 3 370.581 4.175 20 0 FIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CO)CC(c3ccccc3)C2)CC1 ZINC000433076214 1093203570 /nfs/dbraw/zinc/20/35/70/1093203570.db2.gz MVDTYVBIZJTCCR-LDOASJGRSA-N 1 3 370.581 4.175 20 0 FIADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433405913 1093672353 /nfs/dbraw/zinc/67/23/53/1093672353.db2.gz JZLNWXLYXWBGJH-AEFFLSMTSA-N 1 3 366.521 4.012 20 0 FIADHO COc1ccc2nc(CNCC3CC[NH+](CCC(C)C)CC3)sc2c1 ZINC000474346643 1093696636 /nfs/dbraw/zinc/69/66/36/1093696636.db2.gz CLDFEHKEZUXLNI-UHFFFAOYSA-N 1 3 361.555 4.153 20 0 FIADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@H](C)C[NH+]1CCCC1 ZINC000623866741 1093735381 /nfs/dbraw/zinc/73/53/81/1093735381.db2.gz DSIGKMYCGSYVJC-QWHCGFSZSA-N 1 3 363.855 4.006 20 0 FIADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)CN1CCCC1 ZINC000623866741 1093735386 /nfs/dbraw/zinc/73/53/86/1093735386.db2.gz DSIGKMYCGSYVJC-QWHCGFSZSA-N 1 3 363.855 4.006 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078919 1093780267 /nfs/dbraw/zinc/78/02/67/1093780267.db2.gz XNNNSPANOYARGD-ILWGZMRPSA-N 1 3 369.553 4.305 20 0 FIADHO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513678614 1094269654 /nfs/dbraw/zinc/26/96/54/1094269654.db2.gz PVOGIMNQNKQHER-FDFHNCONSA-N 1 3 358.570 4.066 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474598668 1094394241 /nfs/dbraw/zinc/39/42/41/1094394241.db2.gz JMFPOSFWRJXFDQ-UHDSXZAQSA-N 1 3 370.990 4.373 20 0 FIADHO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000501030364 1094429935 /nfs/dbraw/zinc/42/99/35/1094429935.db2.gz UTJPGYTVRRLGKD-QHCPKHFHSA-N 1 3 371.613 4.091 20 0 FIADHO CC(C)c1ccc(C[C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000501030364 1094429937 /nfs/dbraw/zinc/42/99/37/1094429937.db2.gz UTJPGYTVRRLGKD-QHCPKHFHSA-N 1 3 371.613 4.091 20 0 FIADHO CC(C)Sc1cccc(Cl)c1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000474730289 1094546104 /nfs/dbraw/zinc/54/61/04/1094546104.db2.gz PAKGNJLDCGQJJP-MRXNPFEDSA-N 1 3 370.990 4.167 20 0 FIADHO CC(C)Sc1cccc(Cl)c1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000474730289 1094546108 /nfs/dbraw/zinc/54/61/08/1094546108.db2.gz PAKGNJLDCGQJJP-MRXNPFEDSA-N 1 3 370.990 4.167 20 0 FIADHO CC(C)c1nc(CC[N@H+](C)C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)no1 ZINC001168041599 1094600465 /nfs/dbraw/zinc/60/04/65/1094600465.db2.gz UBRYCECCPNBFOR-QZTJIDSGSA-N 1 3 370.541 4.109 20 0 FIADHO CC(C)c1nc(CC[N@@H+](C)C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)no1 ZINC001168041599 1094600468 /nfs/dbraw/zinc/60/04/68/1094600468.db2.gz UBRYCECCPNBFOR-QZTJIDSGSA-N 1 3 370.541 4.109 20 0 FIADHO C[C@@H]1CC(N2CC[C@H](F)C(F)(F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041852 1094634591 /nfs/dbraw/zinc/63/45/91/1094634591.db2.gz WMYXXUDTHZCIJV-MDZRGWNJSA-N 1 3 354.460 4.497 20 0 FIADHO [NH3+]CC[C@@H]1CCCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315022 1094877612 /nfs/dbraw/zinc/87/76/12/1094877612.db2.gz RKSPEYBYAUNEJJ-HTAPYJJXSA-N 1 3 361.489 4.153 20 0 FIADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000420382943 1094907355 /nfs/dbraw/zinc/90/73/55/1094907355.db2.gz PZSGATSBQDECBN-BEFAXECRSA-N 1 3 364.942 4.273 20 0 FIADHO c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000421334781 1095547760 /nfs/dbraw/zinc/54/77/60/1095547760.db2.gz QSIYEFWQHGUJOH-GOSISDBHSA-N 1 3 364.537 4.239 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCSCC5)[C@H]3C2)cc1 ZINC000421384112 1095587311 /nfs/dbraw/zinc/58/73/11/1095587311.db2.gz OWHBYWHNGQTVFA-TUFLPTIASA-N 1 3 356.579 4.020 20 0 FIADHO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1OC ZINC000513759855 1095966095 /nfs/dbraw/zinc/96/60/95/1095966095.db2.gz HIJMXKVIEKENQP-SFHVURJKSA-N 1 3 368.521 4.459 20 0 FIADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074294 1096053001 /nfs/dbraw/zinc/05/30/01/1096053001.db2.gz QJOPOUFOBPDRHL-ICSRJNTNSA-N 1 3 374.573 4.246 20 0 FIADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074294 1096053014 /nfs/dbraw/zinc/05/30/14/1096053014.db2.gz QJOPOUFOBPDRHL-ICSRJNTNSA-N 1 3 374.573 4.246 20 0 FIADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCSc1ccccc1Br ZINC000422759086 1096475325 /nfs/dbraw/zinc/47/53/25/1096475325.db2.gz OVAJGZATPZWIQC-UKRRQHHQSA-N 1 3 357.361 4.038 20 0 FIADHO Cc1nc(-c2ccc(CC[NH2+][C@H](C)c3ccc(CN)nc3C)s2)cs1 ZINC000422793558 1096492586 /nfs/dbraw/zinc/49/25/86/1096492586.db2.gz FTFLVEHNKPVNBW-GFCCVEGCSA-N 1 3 372.563 4.235 20 0 FIADHO CC(C)Oc1cccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422879457 1096511426 /nfs/dbraw/zinc/51/14/26/1096511426.db2.gz KNIWLESRRUCGLG-JWNTYJGQSA-N 1 3 366.505 4.380 20 0 FIADHO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCCCC2)cc1 ZINC000422898773 1096519684 /nfs/dbraw/zinc/51/96/84/1096519684.db2.gz FWSYOSASCZUOSI-QGZVFWFLSA-N 1 3 367.537 4.410 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422911479 1096522940 /nfs/dbraw/zinc/52/29/40/1096522940.db2.gz SXZOBTWVOXELAR-ZDUSSCGKSA-N 1 3 365.443 4.496 20 0 FIADHO Cc1sc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])nc1-c1ccccc1 ZINC000422927542 1096527362 /nfs/dbraw/zinc/52/73/62/1096527362.db2.gz GQWYIYNTFAWMLB-OXQOHEQNSA-N 1 3 365.546 4.209 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423040780 1096557039 /nfs/dbraw/zinc/55/70/39/1096557039.db2.gz HXTLVNRMPHKMRG-CHWSQXEVSA-N 1 3 351.416 4.149 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423066827 1096561646 /nfs/dbraw/zinc/56/16/46/1096561646.db2.gz FKGISMPIBNHSLJ-CYBMUJFWSA-N 1 3 365.443 4.496 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423067339 1096561812 /nfs/dbraw/zinc/56/18/12/1096561812.db2.gz ZBKMXSLROZGUFB-AWEZNQCLSA-N 1 3 359.464 4.290 20 0 FIADHO CCCOc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000423066300 1096562241 /nfs/dbraw/zinc/56/22/41/1096562241.db2.gz DKISOPDDMPOEMF-JTHBVZDNSA-N 1 3 366.505 4.129 20 0 FIADHO Fc1ccc2c(c1)[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089872 1096571435 /nfs/dbraw/zinc/57/14/35/1096571435.db2.gz WETDCLKTZGYCIL-KCZVDYSFSA-N 1 3 352.453 4.049 20 0 FIADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423119775 1096579251 /nfs/dbraw/zinc/57/92/51/1096579251.db2.gz DQXBFCXEIGBPNF-USBNGQNGSA-N 1 3 350.304 4.023 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000423133188 1096590856 /nfs/dbraw/zinc/59/08/56/1096590856.db2.gz VRTVWVDRTPFVSV-UZUQRXQVSA-N 1 3 368.569 4.001 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423139898 1096595166 /nfs/dbraw/zinc/59/51/66/1096595166.db2.gz WUECVEIMAVVRAA-UGSOOPFHSA-N 1 3 351.416 4.236 20 0 FIADHO Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000423169032 1096601007 /nfs/dbraw/zinc/60/10/07/1096601007.db2.gz IOXHKYVOQWBESD-VWNXMTODSA-N 1 3 358.485 4.494 20 0 FIADHO FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000503950479 1096603295 /nfs/dbraw/zinc/60/32/95/1096603295.db2.gz UHFIVSARMDGUJI-USYVTKNRSA-N 1 3 364.480 4.037 20 0 FIADHO C[C@@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180990 1096606346 /nfs/dbraw/zinc/60/63/46/1096606346.db2.gz BRKDLALWTPEHOZ-RDTXWAMCSA-N 1 3 374.326 4.162 20 0 FIADHO COc1ccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423239573 1096618172 /nfs/dbraw/zinc/61/81/72/1096618172.db2.gz BJKVOEUTDVMGFE-QVKFZJNVSA-N 1 3 374.912 4.036 20 0 FIADHO [NH3+]CCCCN[C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423316450 1096642415 /nfs/dbraw/zinc/64/24/15/1096642415.db2.gz BOCXMWASDVOOBC-KRWDZBQOSA-N 1 3 351.263 4.006 20 0 FIADHO Brc1cccc([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423356366 1096655356 /nfs/dbraw/zinc/65/53/56/1096655356.db2.gz QNBWUXGXHXFTPJ-IBGZPJMESA-N 1 3 357.295 4.048 20 0 FIADHO CCOc1ccc([C@@H](CC)NCc2ccc3c(c2)C[NH2+]C3)cc1OCC ZINC000423386015 1096662935 /nfs/dbraw/zinc/66/29/35/1096662935.db2.gz LRNGUCPYVGDMQT-HXUWFJFHSA-N 1 3 354.494 4.328 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CCNC[C@@H]2C)nc1 ZINC000423406258 1096673340 /nfs/dbraw/zinc/67/33/40/1096673340.db2.gz UMYLPTRRAHIGLJ-WQTXXOFMSA-N 1 3 371.956 4.039 20 0 FIADHO Brc1ccc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2ccco2)cc1 ZINC000423470847 1096692785 /nfs/dbraw/zinc/69/27/85/1096692785.db2.gz DMKGCVHBEAZBEA-SJLPKXTDSA-N 1 3 363.299 4.253 20 0 FIADHO CSc1cccc([C@H](N[C@H]2CC[C@H](C[NH3+])C2)c2cc(F)ccc2F)c1 ZINC000423493364 1096706979 /nfs/dbraw/zinc/70/69/79/1096706979.db2.gz BHQHDDSIPYGTCE-RISOHXOYSA-N 1 3 362.489 4.493 20 0 FIADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000436296604 1098909824 /nfs/dbraw/zinc/90/98/24/1098909824.db2.gz VFUZGRDKELLIDE-FXAWDEMLSA-N 1 3 360.542 4.022 20 0 FIADHO COc1ccc(C[C@H](C)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296604 1098909828 /nfs/dbraw/zinc/90/98/28/1098909828.db2.gz VFUZGRDKELLIDE-FXAWDEMLSA-N 1 3 360.542 4.022 20 0 FIADHO CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CCN(C)CC2)cc1C ZINC001211993728 1099144337 /nfs/dbraw/zinc/14/43/37/1099144337.db2.gz CKEYTAISRFZHFB-UHFFFAOYSA-N 1 3 366.553 4.332 20 0 FIADHO CC[NH+](CC)Cc1ccccc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001211994322 1099158454 /nfs/dbraw/zinc/15/84/54/1099158454.db2.gz SVOYEBDOUPTKRE-UHFFFAOYSA-N 1 3 366.553 4.019 20 0 FIADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000162497653 1099811888 /nfs/dbraw/zinc/81/18/88/1099811888.db2.gz URKPEPRFDHYEPR-OAHLLOKOSA-N 1 3 361.555 4.366 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000162586229 1099900487 /nfs/dbraw/zinc/90/04/87/1099900487.db2.gz SFJCSDNEAPXJGK-OAHLLOKOSA-N 1 3 364.436 4.079 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652506 1100104853 /nfs/dbraw/zinc/10/48/53/1100104853.db2.gz SSUBOEKXVKNWOE-UHFFFAOYSA-N 1 3 374.960 4.386 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652506 1100104863 /nfs/dbraw/zinc/10/48/63/1100104863.db2.gz SSUBOEKXVKNWOE-UHFFFAOYSA-N 1 3 374.960 4.386 20 0 FIADHO CC[C@@H](CSc1ccc(C)c(C)c1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425894018 1100185137 /nfs/dbraw/zinc/18/51/37/1100185137.db2.gz FOFPDAINXSXDPO-SFHVURJKSA-N 1 3 373.566 4.419 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(Cl)cc(Br)c1)C2 ZINC000459460735 1100205325 /nfs/dbraw/zinc/20/53/25/1100205325.db2.gz JIIVOQPUCBPHCQ-XYPWUTKMSA-N 1 3 357.723 4.160 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc(Cl)cc(Br)c1)C2 ZINC000459460735 1100205331 /nfs/dbraw/zinc/20/53/31/1100205331.db2.gz JIIVOQPUCBPHCQ-XYPWUTKMSA-N 1 3 357.723 4.160 20 0 FIADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000536859035 1100375012 /nfs/dbraw/zinc/37/50/12/1100375012.db2.gz RKPVRMUTVRQKAA-WIYYLYMNSA-N 1 3 368.521 4.094 20 0 FIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000426031405 1100682470 /nfs/dbraw/zinc/68/24/70/1100682470.db2.gz RSTBAUQQBMLUJQ-NJDAHSKKSA-N 1 3 357.929 4.481 20 0 FIADHO Cc1ccc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)oc2c1 ZINC000426044809 1100721155 /nfs/dbraw/zinc/72/11/55/1100721155.db2.gz ANCPXUSLGJPDPL-PWIZWCRZSA-N 1 3 356.510 4.160 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3cccc(-c4ccncc4)c3)C2)cc1 ZINC000439476548 1101477011 /nfs/dbraw/zinc/47/70/11/1101477011.db2.gz QWOPOOSIHVGWAL-QHCPKHFHSA-N 1 3 371.528 4.403 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CCN1Cc1ccccc1 ZINC000532441726 1102330410 /nfs/dbraw/zinc/33/04/10/1102330410.db2.gz FHAKPWRZKLRPMI-HJNYFJLDSA-N 1 3 367.537 4.059 20 0 FIADHO CN1CCN(Cc2ccc(C[NH2+][C@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000532448876 1102335600 /nfs/dbraw/zinc/33/56/00/1102335600.db2.gz SDMJSHNLZSQSRR-XMMPIXPASA-N 1 3 363.549 4.065 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2c3cc(Br)ccc3SC[C@H]2C)CC[N@@H+]1C ZINC000532483208 1102424257 /nfs/dbraw/zinc/42/42/57/1102424257.db2.gz ZALBTJIERXERET-ALYFQZSWSA-N 1 3 369.372 4.304 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2c3cc(Br)ccc3SC[C@H]2C)CC[N@H+]1C ZINC000532483208 1102424264 /nfs/dbraw/zinc/42/42/64/1102424264.db2.gz ZALBTJIERXERET-ALYFQZSWSA-N 1 3 369.372 4.304 20 0 FIADHO COc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000110911118 1102426273 /nfs/dbraw/zinc/42/62/73/1102426273.db2.gz YAQXKSZQAXCZEY-UHFFFAOYSA-N 1 3 356.485 4.178 20 0 FIADHO COc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000110911118 1102426275 /nfs/dbraw/zinc/42/62/75/1102426275.db2.gz YAQXKSZQAXCZEY-UHFFFAOYSA-N 1 3 356.485 4.178 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000122328485 1102557907 /nfs/dbraw/zinc/55/79/07/1102557907.db2.gz DGULPJOWVQFVNU-GJYPPUQNSA-N 1 3 368.949 4.136 20 0 FIADHO CCC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187911226 1102779420 /nfs/dbraw/zinc/77/94/20/1102779420.db2.gz TWULWQJTIDCKCS-RTWAWAEBSA-N 1 3 358.551 4.336 20 0 FIADHO CCC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187911226 1102779429 /nfs/dbraw/zinc/77/94/29/1102779429.db2.gz TWULWQJTIDCKCS-RTWAWAEBSA-N 1 3 358.551 4.336 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@]1(C)CCCO1 ZINC000551030139 1102809967 /nfs/dbraw/zinc/80/99/67/1102809967.db2.gz XYCVWGVCRQWSGD-OXJNMPFZSA-N 1 3 350.934 4.099 20 0 FIADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550269990 1102895178 /nfs/dbraw/zinc/89/51/78/1102895178.db2.gz DSIXPJMPYNOAPN-MZYLBHOOSA-N 1 3 370.581 4.331 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1O ZINC000459365375 1102928475 /nfs/dbraw/zinc/92/84/75/1102928475.db2.gz BAAGPDORBPBULB-SFHVURJKSA-N 1 3 368.521 4.455 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1O ZINC000459365375 1102928479 /nfs/dbraw/zinc/92/84/79/1102928479.db2.gz BAAGPDORBPBULB-SFHVURJKSA-N 1 3 368.521 4.455 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000506886564 1102933129 /nfs/dbraw/zinc/93/31/29/1102933129.db2.gz WPMCFMMURBABCX-UHFFFAOYSA-N 1 3 367.537 4.214 20 0 FIADHO [NH3+]CCC[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000666976004 1103044131 /nfs/dbraw/zinc/04/41/31/1103044131.db2.gz SWRSOQAMNHDWIK-OAQYLSRUSA-N 1 3 368.912 4.155 20 0 FIADHO COc1cccc(CN(C)[C@@H]2CCC[N@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827668 1103244162 /nfs/dbraw/zinc/24/41/62/1103244162.db2.gz PWTUMCGJXCXGJD-OAQYLSRUSA-N 1 3 368.521 4.190 20 0 FIADHO COc1cccc(CN(C)[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827668 1103244172 /nfs/dbraw/zinc/24/41/72/1103244172.db2.gz PWTUMCGJXCXGJD-OAQYLSRUSA-N 1 3 368.521 4.190 20 0 FIADHO CCCCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000551790576 1103663275 /nfs/dbraw/zinc/66/32/75/1103663275.db2.gz CQJVYHWXZICHQU-NMNUPHIUSA-N 1 3 374.569 4.284 20 0 FIADHO Clc1ccc(SCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397517 1104329265 /nfs/dbraw/zinc/32/92/65/1104329265.db2.gz WSNYSMXVGLJFSA-BEFAXECRSA-N 1 3 350.959 4.381 20 0 FIADHO Clc1ccc(SCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397517 1104329277 /nfs/dbraw/zinc/32/92/77/1104329277.db2.gz WSNYSMXVGLJFSA-BEFAXECRSA-N 1 3 350.959 4.381 20 0 FIADHO C[NH+]1CCC(CNCc2sc(Sc3ccccc3)nc2Cl)CC1 ZINC000237161956 1104523118 /nfs/dbraw/zinc/52/31/18/1104523118.db2.gz GIXYZDHHNCIHFW-UHFFFAOYSA-N 1 3 367.971 4.379 20 0 FIADHO Cc1ccn2c(C[NH2+]C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)cnc2c1 ZINC001168006813 1105119061 /nfs/dbraw/zinc/11/90/61/1105119061.db2.gz PEQBUMIEUKHOMV-OALUTQOASA-N 1 3 362.521 4.174 20 0 FIADHO Cc1ccn2c(C[NH2+][C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)cnc2c1 ZINC001168006811 1105119168 /nfs/dbraw/zinc/11/91/68/1105119168.db2.gz PEQBUMIEUKHOMV-CEQLMSFQSA-N 1 3 362.521 4.174 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000508204646 1105358633 /nfs/dbraw/zinc/35/86/33/1105358633.db2.gz IHDBRZNQAMWRHO-AKHDSKFASA-N 1 3 357.542 4.118 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000508204646 1105358640 /nfs/dbraw/zinc/35/86/40/1105358640.db2.gz IHDBRZNQAMWRHO-AKHDSKFASA-N 1 3 357.542 4.118 20 0 FIADHO c1nc2ccccc2n1-c1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000475558549 1107730833 /nfs/dbraw/zinc/73/08/33/1107730833.db2.gz GJAXLXORNSGJEA-UHFFFAOYSA-N 1 3 360.505 4.132 20 0 FIADHO C[C@@H](Cc1ccc(Br)cc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000475573332 1107767593 /nfs/dbraw/zinc/76/75/93/1107767593.db2.gz HQZAWHMJNQYTTN-IGEOTXOUSA-N 1 3 369.322 4.126 20 0 FIADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000475576772 1107784603 /nfs/dbraw/zinc/78/46/03/1107784603.db2.gz VYUOKJYJLFKILS-JEYLPNPQSA-N 1 3 369.322 4.126 20 0 FIADHO COc1ccc(C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692699 1108097582 /nfs/dbraw/zinc/09/75/82/1108097582.db2.gz VUNSVBBOLJTPGQ-LLBVYWAGSA-N 1 3 368.521 4.060 20 0 FIADHO COc1ccc(C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692699 1108097598 /nfs/dbraw/zinc/09/75/98/1108097598.db2.gz VUNSVBBOLJTPGQ-LLBVYWAGSA-N 1 3 368.521 4.060 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054946 1108131163 /nfs/dbraw/zinc/13/11/63/1108131163.db2.gz CYFVFIVZJYFFJE-RTBURBONSA-N 1 3 354.542 4.250 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054946 1108131170 /nfs/dbraw/zinc/13/11/70/1108131170.db2.gz CYFVFIVZJYFFJE-RTBURBONSA-N 1 3 354.542 4.250 20 0 FIADHO COCCC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453089177 1108159840 /nfs/dbraw/zinc/15/98/40/1108159840.db2.gz JXFMKXREVNNYCT-FQEVSTJZSA-N 1 3 350.934 4.272 20 0 FIADHO Clc1ccc([C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000453112606 1108181174 /nfs/dbraw/zinc/18/11/74/1108181174.db2.gz QYPTWSTVPOJNGQ-IERDGZPVSA-N 1 3 362.945 4.272 20 0 FIADHO CCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000453186681 1108256384 /nfs/dbraw/zinc/25/63/84/1108256384.db2.gz WZMBFWNAUUPWLN-QUCCMNQESA-N 1 3 352.526 4.171 20 0 FIADHO CCC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213574 1108282186 /nfs/dbraw/zinc/28/21/86/1108282186.db2.gz APFMPANFOGJRHN-PKTZIBPZSA-N 1 3 370.581 4.474 20 0 FIADHO CO[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289288 1108365296 /nfs/dbraw/zinc/36/52/96/1108365296.db2.gz LXRNINSGGLVCAE-KIHHCIJBSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289288 1108365312 /nfs/dbraw/zinc/36/53/12/1108365312.db2.gz LXRNINSGGLVCAE-KIHHCIJBSA-N 1 3 364.533 4.029 20 0 FIADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000531931071 1108402664 /nfs/dbraw/zinc/40/26/64/1108402664.db2.gz VPVPQKNAUKQIDP-INIZCTEOSA-N 1 3 359.558 4.426 20 0 FIADHO Cn1ccnc1CN1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453603721 1108653032 /nfs/dbraw/zinc/65/30/32/1108653032.db2.gz YMTBYLXICHQJKV-QFIPXVFZSA-N 1 3 366.553 4.077 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225244 1108722472 /nfs/dbraw/zinc/72/24/72/1108722472.db2.gz FNIJCKKMCYYFQK-HKUYNNGSSA-N 1 3 356.485 4.397 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225244 1108722482 /nfs/dbraw/zinc/72/24/82/1108722482.db2.gz FNIJCKKMCYYFQK-HKUYNNGSSA-N 1 3 356.485 4.397 20 0 FIADHO Cc1cc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000447560014 1109581813 /nfs/dbraw/zinc/58/18/13/1109581813.db2.gz BSYMKQADEDAUGK-JKSUJKDBSA-N 1 3 359.489 4.199 20 0 FIADHO Cc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)o1 ZINC000447560014 1109581816 /nfs/dbraw/zinc/58/18/16/1109581816.db2.gz BSYMKQADEDAUGK-JKSUJKDBSA-N 1 3 359.489 4.199 20 0 FIADHO C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527971030 1109871643 /nfs/dbraw/zinc/87/16/43/1109871643.db2.gz UNILYUHNZJEKBO-JTSKRJEESA-N 1 3 353.510 4.214 20 0 FIADHO C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000527969782 1109877645 /nfs/dbraw/zinc/87/76/45/1109877645.db2.gz RMEWOXMBZXMFOW-HTAPYJJXSA-N 1 3 353.510 4.214 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2ccccc2-n2ccnc2)CC1 ZINC000449099771 1109976076 /nfs/dbraw/zinc/97/60/76/1109976076.db2.gz UUWMZLDSAWMOLM-HXUWFJFHSA-N 1 3 374.532 4.058 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449128996 1109981820 /nfs/dbraw/zinc/98/18/20/1109981820.db2.gz UFMZAJIIYSAHSW-UHFFFAOYSA-N 1 3 369.896 4.483 20 0 FIADHO C[NH+](C)Cc1cc(CNCc2cccc(Br)c2F)ccc1F ZINC000449152620 1109986340 /nfs/dbraw/zinc/98/63/40/1109986340.db2.gz GVYOBQOFAXXTFA-UHFFFAOYSA-N 1 3 369.253 4.079 20 0 FIADHO Cc1cn2c(n1)[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CCC2 ZINC000449171742 1109988475 /nfs/dbraw/zinc/98/84/75/1109988475.db2.gz UMFZZHXTBNHBKJ-GOSISDBHSA-N 1 3 360.590 4.338 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000449478396 1110085229 /nfs/dbraw/zinc/08/52/29/1110085229.db2.gz KCKOWOICXAGURL-ACESQOTJSA-N 1 3 368.565 4.226 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760858 1111289882 /nfs/dbraw/zinc/28/98/82/1111289882.db2.gz PYLPLXBOFURGAH-QZTJIDSGSA-N 1 3 357.567 4.377 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760858 1111289886 /nfs/dbraw/zinc/28/98/86/1111289886.db2.gz PYLPLXBOFURGAH-QZTJIDSGSA-N 1 3 357.567 4.377 20 0 FIADHO CCN1CC[C@@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000461794421 1111358884 /nfs/dbraw/zinc/35/88/84/1111358884.db2.gz ASMVNZHYWUBHBM-KRWDZBQOSA-N 1 3 358.476 4.050 20 0 FIADHO CC(C)c1ccc2c(c1)[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000539064993 1111408566 /nfs/dbraw/zinc/40/85/66/1111408566.db2.gz OEAQQYBAUQYWOU-QFIPXVFZSA-N 1 3 367.537 4.313 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000539072430 1111419524 /nfs/dbraw/zinc/41/95/24/1111419524.db2.gz RMCHPOUSTDYFHY-FHWLQOOXSA-N 1 3 370.537 4.388 20 0 FIADHO CC(C)C1CCC(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000552281378 1111658921 /nfs/dbraw/zinc/65/89/21/1111658921.db2.gz TYLINTIFHVNPSG-VHYCJAOWSA-N 1 3 369.597 4.093 20 0 FIADHO CC(C)C1CCC(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000552281378 1111658924 /nfs/dbraw/zinc/65/89/24/1111658924.db2.gz TYLINTIFHVNPSG-VHYCJAOWSA-N 1 3 369.597 4.093 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479063415 1111939026 /nfs/dbraw/zinc/93/90/26/1111939026.db2.gz FEDHKGLHFUSRRO-QHCPKHFHSA-N 1 3 374.532 4.491 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479063415 1111939033 /nfs/dbraw/zinc/93/90/33/1111939033.db2.gz FEDHKGLHFUSRRO-QHCPKHFHSA-N 1 3 374.532 4.491 20 0 FIADHO OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479526660 1112053189 /nfs/dbraw/zinc/05/31/89/1112053189.db2.gz JYIVSAQYOGPONY-JOCHJYFZSA-N 1 3 370.924 4.074 20 0 FIADHO CCc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)s1 ZINC000480733487 1112569297 /nfs/dbraw/zinc/56/92/97/1112569297.db2.gz UKFPCSUFZADXLO-SFHVURJKSA-N 1 3 371.594 4.299 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000480726230 1112573193 /nfs/dbraw/zinc/57/31/93/1112573193.db2.gz GMFZWOSDHYFJOD-QFIPXVFZSA-N 1 3 368.521 4.411 20 0 FIADHO COCC[N@H+](C)CCCN[C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000480771057 1112590252 /nfs/dbraw/zinc/59/02/52/1112590252.db2.gz ABKYUNRNPGJJHZ-SFHVURJKSA-N 1 3 373.566 4.054 20 0 FIADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000480771057 1112590260 /nfs/dbraw/zinc/59/02/60/1112590260.db2.gz ABKYUNRNPGJJHZ-SFHVURJKSA-N 1 3 373.566 4.054 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333330 1112903773 /nfs/dbraw/zinc/90/37/73/1112903773.db2.gz SKHUQKFBBCQUAQ-MJGOQNOKSA-N 1 3 356.485 4.397 20 0 FIADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc(OCC[NH+](C)C)cc1)CCCO2 ZINC000481343369 1112907108 /nfs/dbraw/zinc/90/71/08/1112907108.db2.gz WCWVDTQJJIMZAF-JOCHJYFZSA-N 1 3 368.521 4.247 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536836 1112913715 /nfs/dbraw/zinc/91/37/15/1112913715.db2.gz ABJGDEPZEZCZIM-RDJZCZTQSA-N 1 3 365.359 4.016 20 0 FIADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127663 1113184181 /nfs/dbraw/zinc/18/41/81/1113184181.db2.gz ORJIPHNLNIBYTG-VGOFRKELSA-N 1 3 350.506 4.108 20 0 FIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127663 1113184183 /nfs/dbraw/zinc/18/41/83/1113184183.db2.gz ORJIPHNLNIBYTG-VGOFRKELSA-N 1 3 350.506 4.108 20 0 FIADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482445260 1113259010 /nfs/dbraw/zinc/25/90/10/1113259010.db2.gz ISDJNYYEPXTVJU-JTHBVZDNSA-N 1 3 364.533 4.363 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000482519351 1113282702 /nfs/dbraw/zinc/28/27/02/1113282702.db2.gz NHNAGLWEJVAHSI-DNVCBOLYSA-N 1 3 372.384 4.308 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(F)cc(F)c1 ZINC000482868918 1113388462 /nfs/dbraw/zinc/38/84/62/1113388462.db2.gz MGEFKFRBSAWIHZ-MRXNPFEDSA-N 1 3 360.448 4.290 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000483140253 1113452001 /nfs/dbraw/zinc/45/20/01/1113452001.db2.gz PSAYFFUNYDGQKV-NUJGCVRESA-N 1 3 350.572 4.024 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000483140253 1113452003 /nfs/dbraw/zinc/45/20/03/1113452003.db2.gz PSAYFFUNYDGQKV-NUJGCVRESA-N 1 3 350.572 4.024 20 0 FIADHO COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486461857 1113572477 /nfs/dbraw/zinc/57/24/77/1113572477.db2.gz PQAOILFBWFSTDI-COQOWEQBSA-N 1 3 350.506 4.209 20 0 FIADHO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486487859 1113579579 /nfs/dbraw/zinc/57/95/79/1113579579.db2.gz KNNYKMKWXKOREK-VQIMIIECSA-N 1 3 360.448 4.288 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CCC3)cc1 ZINC000571073957 1114431391 /nfs/dbraw/zinc/43/13/91/1114431391.db2.gz NZWIEJNZVSLQIS-ZACQAIPSSA-N 1 3 357.523 4.056 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000571466598 1114466162 /nfs/dbraw/zinc/46/61/62/1114466162.db2.gz BTYAFUDKVIUIDA-ZWKOTPCHSA-N 1 3 353.510 4.315 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000571466598 1114466164 /nfs/dbraw/zinc/46/61/64/1114466164.db2.gz BTYAFUDKVIUIDA-ZWKOTPCHSA-N 1 3 353.510 4.315 20 0 FIADHO C[NH2+]CCC1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000571445724 1114471200 /nfs/dbraw/zinc/47/12/00/1114471200.db2.gz NLRGDIFIVOILIH-UHFFFAOYSA-N 1 3 368.521 4.096 20 0 FIADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571781273 1114537235 /nfs/dbraw/zinc/53/72/35/1114537235.db2.gz RIPCKNWKOGBYRM-HJNYFJLDSA-N 1 3 370.581 4.330 20 0 FIADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415528 1115826670 /nfs/dbraw/zinc/82/66/70/1115826670.db2.gz CPDSNUFVXZFEFR-OAQYLSRUSA-N 1 3 372.915 4.372 20 0 FIADHO C[C@@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124697 1116150778 /nfs/dbraw/zinc/15/07/78/1116150778.db2.gz NSNYGCLCRVTKBK-RDJZCZTQSA-N 1 3 354.460 4.473 20 0 FIADHO C[C@@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124697 1116150780 /nfs/dbraw/zinc/15/07/80/1116150780.db2.gz NSNYGCLCRVTKBK-RDJZCZTQSA-N 1 3 354.460 4.473 20 0 FIADHO CC[NH+]1CCC(CCNCc2ccc(Br)cc2Cl)CC1 ZINC000462752156 1117752084 /nfs/dbraw/zinc/75/20/84/1117752084.db2.gz CPYFCCFUEBNJJT-UHFFFAOYSA-N 1 3 359.739 4.314 20 0 FIADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462783468 1117765616 /nfs/dbraw/zinc/76/56/16/1117765616.db2.gz PDUHEJFDBSNCTO-XZOQPEGZSA-N 1 3 356.554 4.202 20 0 FIADHO CC(C)Cc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000540142682 1117895011 /nfs/dbraw/zinc/89/50/11/1117895011.db2.gz LEFUHDDZUFIZPK-SFHVURJKSA-N 1 3 355.526 4.071 20 0 FIADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CCN1Cc1ccccc1 ZINC000540145515 1117896485 /nfs/dbraw/zinc/89/64/85/1117896485.db2.gz SGGHMVQSKHDHFR-ICSRJNTNSA-N 1 3 367.537 4.402 20 0 FIADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000540173122 1117913350 /nfs/dbraw/zinc/91/33/50/1117913350.db2.gz CVEPVEROSQGXDF-ZACQAIPSSA-N 1 3 370.484 4.136 20 0 FIADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540173120 1117913620 /nfs/dbraw/zinc/91/36/20/1117913620.db2.gz CVEPVEROSQGXDF-IXDOHACOSA-N 1 3 370.484 4.136 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176634 1117916513 /nfs/dbraw/zinc/91/65/13/1117916513.db2.gz UJBNWNPVRJSSTO-DYESRHJHSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176634 1117916515 /nfs/dbraw/zinc/91/65/15/1117916515.db2.gz UJBNWNPVRJSSTO-DYESRHJHSA-N 1 3 374.475 4.331 20 0 FIADHO CC1CCN(CCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000463140768 1117980380 /nfs/dbraw/zinc/98/03/80/1117980380.db2.gz ICXUEPZACXKEIS-UHFFFAOYSA-N 1 3 363.977 4.016 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140046 1117987283 /nfs/dbraw/zinc/98/72/83/1117987283.db2.gz KACCDRZDIKBAQD-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140046 1117987285 /nfs/dbraw/zinc/98/72/85/1117987285.db2.gz KACCDRZDIKBAQD-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000540419302 1118045784 /nfs/dbraw/zinc/04/57/84/1118045784.db2.gz WFINIWQLHAMGEQ-PBFPGSCMSA-N 1 3 369.372 4.163 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000540419302 1118045789 /nfs/dbraw/zinc/04/57/89/1118045789.db2.gz WFINIWQLHAMGEQ-PBFPGSCMSA-N 1 3 369.372 4.163 20 0 FIADHO C[C@H](CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000463274580 1118075002 /nfs/dbraw/zinc/07/50/02/1118075002.db2.gz RHZFWEYHZGWREP-GOSISDBHSA-N 1 3 363.977 4.159 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645824 1118172198 /nfs/dbraw/zinc/17/21/98/1118172198.db2.gz LITWJRXMBDJTHM-JTSKRJEESA-N 1 3 356.510 4.220 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658652 1118177472 /nfs/dbraw/zinc/17/74/72/1118177472.db2.gz PTPJRFYWFZNSJX-QTEQDKRBSA-N 1 3 370.537 4.487 20 0 FIADHO CC[NH+](CC)CCCC1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000541084246 1118376827 /nfs/dbraw/zinc/37/68/27/1118376827.db2.gz MJEYDKXDGZGJHY-FQEVSTJZSA-N 1 3 373.585 4.040 20 0 FIADHO CN(CCCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839303 1118709006 /nfs/dbraw/zinc/70/90/06/1118709006.db2.gz QLQDZHUMIVTMIC-FQEVSTJZSA-N 1 3 356.485 4.049 20 0 FIADHO CN(CCCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839303 1118709008 /nfs/dbraw/zinc/70/90/08/1118709008.db2.gz QLQDZHUMIVTMIC-FQEVSTJZSA-N 1 3 356.485 4.049 20 0 FIADHO C[N@H+](CCOc1ccc(Cl)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464831351 1118715755 /nfs/dbraw/zinc/71/57/55/1118715755.db2.gz ACKVFBHQBXBGMZ-LJQANCHMSA-N 1 3 358.913 4.173 20 0 FIADHO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464831351 1118715760 /nfs/dbraw/zinc/71/57/60/1118715760.db2.gz ACKVFBHQBXBGMZ-LJQANCHMSA-N 1 3 358.913 4.173 20 0 FIADHO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000173300626 1119031163 /nfs/dbraw/zinc/03/11/63/1119031163.db2.gz FAZOLHJRQDOBOQ-KRWDZBQOSA-N 1 3 354.494 4.150 20 0 FIADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365907 1119035444 /nfs/dbraw/zinc/03/54/44/1119035444.db2.gz UXVBXSFZQAFIQB-SJORKVTESA-N 1 3 374.550 4.328 20 0 FIADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365907 1119035448 /nfs/dbraw/zinc/03/54/48/1119035448.db2.gz UXVBXSFZQAFIQB-SJORKVTESA-N 1 3 374.550 4.328 20 0 FIADHO CC(C)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311704804 1119385305 /nfs/dbraw/zinc/38/53/05/1119385305.db2.gz VAQGWMPFZFZQKZ-DENIHFKCSA-N 1 3 352.522 4.474 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916680 1119506018 /nfs/dbraw/zinc/50/60/18/1119506018.db2.gz MCLNFWTYHCWWTE-RHSMWYFYSA-N 1 3 351.332 4.066 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916680 1119506022 /nfs/dbraw/zinc/50/60/22/1119506022.db2.gz MCLNFWTYHCWWTE-RHSMWYFYSA-N 1 3 351.332 4.066 20 0 FIADHO CC(C)Sc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192787713 1120083060 /nfs/dbraw/zinc/08/30/60/1120083060.db2.gz NDGCGIJJQSCITA-IBGZPJMESA-N 1 3 363.615 4.254 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3ccc(Br)cc32)cc1 ZINC000193971256 1120222596 /nfs/dbraw/zinc/22/25/96/1120222596.db2.gz KQVFIEJNHXRPFL-IBGZPJMESA-N 1 3 359.311 4.288 20 0 FIADHO Cc1ccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C2CCC2)cc1 ZINC000250099356 1120475362 /nfs/dbraw/zinc/47/53/62/1120475362.db2.gz REHGVGJTALBYSB-DNVJHFABSA-N 1 3 356.554 4.194 20 0 FIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1N(C)C ZINC000495415300 1120793041 /nfs/dbraw/zinc/79/30/41/1120793041.db2.gz OURXFFLZHVTRKJ-ZJOUEHCJSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 ZINC000495431941 1120817303 /nfs/dbraw/zinc/81/73/03/1120817303.db2.gz GALCVQMOGDVRFX-SXWKCWPCSA-N 1 3 374.532 4.434 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(F)ccc1F ZINC000495548491 1120882286 /nfs/dbraw/zinc/88/22/86/1120882286.db2.gz QKTSKVNBZAVJOM-ZACQAIPSSA-N 1 3 374.475 4.425 20 0 FIADHO FC(F)(F)c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc(C(F)(F)F)c1 ZINC000129473627 1122610377 /nfs/dbraw/zinc/61/03/77/1122610377.db2.gz CWUGMMVQUPMBBT-LLVKDONJSA-N 1 3 366.349 4.298 20 0 FIADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556228604 1122745595 /nfs/dbraw/zinc/74/55/95/1122745595.db2.gz ASYFKCKQUKBQFH-BAGYTPMASA-N 1 3 356.554 4.084 20 0 FIADHO C[NH+](C)CCCCN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498444002 1122805053 /nfs/dbraw/zinc/80/50/53/1122805053.db2.gz OCQNIYUXEOZXBD-KRWDZBQOSA-N 1 3 351.288 4.063 20 0 FIADHO CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499173538 1123306301 /nfs/dbraw/zinc/30/63/01/1123306301.db2.gz WJEOSLZANXWEIT-KIHHCIJBSA-N 1 3 364.533 4.068 20 0 FIADHO COc1c(C)cc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000920179431 1123396697 /nfs/dbraw/zinc/39/66/97/1123396697.db2.gz HCUYMRNWUGEVJH-UHFFFAOYSA-N 1 3 352.522 4.375 20 0 FIADHO CCCCCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133105823 1123420770 /nfs/dbraw/zinc/42/07/70/1123420770.db2.gz YOYGSVIHMVHQFK-VQTJNVASSA-N 1 3 374.569 4.407 20 0 FIADHO CCCCCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133105425 1123420798 /nfs/dbraw/zinc/42/07/98/1123420798.db2.gz YOYGSVIHMVHQFK-PMACEKPBSA-N 1 3 374.569 4.407 20 0 FIADHO CN1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000108428239 1124316720 /nfs/dbraw/zinc/31/67/20/1124316720.db2.gz JYJRFIURESUACV-QGZVFWFLSA-N 1 3 371.912 4.024 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847243 1124447475 /nfs/dbraw/zinc/44/74/75/1124447475.db2.gz OTESYAQCXDTKQM-IUKKYPGJSA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847243 1124447478 /nfs/dbraw/zinc/44/74/78/1124447478.db2.gz OTESYAQCXDTKQM-IUKKYPGJSA-N 1 3 365.521 4.206 20 0 FIADHO FC(F)Oc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000060468629 1124566280 /nfs/dbraw/zinc/56/62/80/1124566280.db2.gz DDXBKNVWZSAMJH-UHFFFAOYSA-N 1 3 352.469 4.376 20 0 FIADHO CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247069668 1124587239 /nfs/dbraw/zinc/58/72/39/1124587239.db2.gz ODYMEGHFLHRWSW-HKUYNNGSSA-N 1 3 369.509 4.235 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000248437064 1124768424 /nfs/dbraw/zinc/76/84/24/1124768424.db2.gz GTAHHHLIVBMCPU-IERDGZPVSA-N 1 3 358.913 4.148 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000248437064 1124768431 /nfs/dbraw/zinc/76/84/31/1124768431.db2.gz GTAHHHLIVBMCPU-IERDGZPVSA-N 1 3 358.913 4.148 20 0 FIADHO CC(C)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248456012 1124772593 /nfs/dbraw/zinc/77/25/93/1124772593.db2.gz RVSIXBIHWINTOM-DENIHFKCSA-N 1 3 374.475 4.018 20 0 FIADHO CC(C)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248456012 1124772603 /nfs/dbraw/zinc/77/26/03/1124772603.db2.gz RVSIXBIHWINTOM-DENIHFKCSA-N 1 3 374.475 4.018 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000249380303 1124855465 /nfs/dbraw/zinc/85/54/65/1124855465.db2.gz QCVZUJFOSXVWKG-CHWSQXEVSA-N 1 3 351.288 4.188 20 0 FIADHO O=C(CCCC[NH2+]C1CCN(C2CCCCC2)CC1)OCc1ccccc1 ZINC000182279571 1125319343 /nfs/dbraw/zinc/31/93/43/1125319343.db2.gz YFUZBDUNRLNXNE-UHFFFAOYSA-N 1 3 372.553 4.287 20 0 FIADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120075 568224872 /nfs/dbraw/zinc/22/48/72/568224872.db2.gz QNZOPSGHSADHDO-RBBKRZOGSA-N 1 3 355.570 4.038 20 0 FIADHO CC[NH2+]CC1CCN(Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000563131734 568264899 /nfs/dbraw/zinc/26/48/99/568264899.db2.gz MSTOCGPQILHWJU-UHFFFAOYSA-N 1 3 367.537 4.099 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccc(C)nc2)ccc1OC ZINC000182946986 1125696981 /nfs/dbraw/zinc/69/69/81/1125696981.db2.gz SIQQZAASTYOBQA-SFHVURJKSA-N 1 3 355.526 4.134 20 0 FIADHO CN(Cc1ccccc1)C[C@@H](C[N@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137553 1080676882 /nfs/dbraw/zinc/67/68/82/1080676882.db2.gz AMWNCJCNPFFPEC-BJKOFHAPSA-N 1 3 366.549 4.403 20 0 FIADHO CN(Cc1ccccc1)C[C@@H](C[N@@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137553 1080676883 /nfs/dbraw/zinc/67/68/83/1080676883.db2.gz AMWNCJCNPFFPEC-BJKOFHAPSA-N 1 3 366.549 4.403 20 0 FIADHO CN(Cc1ccccc1)C[C@@H](C[N@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137556 1080676991 /nfs/dbraw/zinc/67/69/91/1080676991.db2.gz AMWNCJCNPFFPEC-ZEQRLZLVSA-N 1 3 366.549 4.403 20 0 FIADHO CN(Cc1ccccc1)C[C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001167137556 1080676993 /nfs/dbraw/zinc/67/69/93/1080676993.db2.gz AMWNCJCNPFFPEC-ZEQRLZLVSA-N 1 3 366.549 4.403 20 0 FIADHO COc1cc(C)c(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C)n1 ZINC001648795330 1080792257 /nfs/dbraw/zinc/79/22/57/1080792257.db2.gz NCCIUBWPTJAJAM-SFHVURJKSA-N 1 3 367.537 4.371 20 0 FIADHO COc1cc(C)c(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(C)n1 ZINC001648795330 1080792263 /nfs/dbraw/zinc/79/22/63/1080792263.db2.gz NCCIUBWPTJAJAM-SFHVURJKSA-N 1 3 367.537 4.371 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000121263100 1080946793 /nfs/dbraw/zinc/94/67/93/1080946793.db2.gz LQYWAVOOYIJKPM-OAQYLSRUSA-N 1 3 360.448 4.072 20 0 FIADHO CCC1(CNCc2cc3n(n2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000655753374 1081171012 /nfs/dbraw/zinc/17/10/12/1081171012.db2.gz ZDXUTCNUVBLDND-UHFFFAOYSA-N 1 3 366.553 4.001 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698441 1081595281 /nfs/dbraw/zinc/59/52/81/1081595281.db2.gz RFMYCAXVHFILTL-CTNGQTDRSA-N 1 3 368.521 4.267 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698441 1081595289 /nfs/dbraw/zinc/59/52/89/1081595289.db2.gz RFMYCAXVHFILTL-CTNGQTDRSA-N 1 3 368.521 4.267 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698458 1081595375 /nfs/dbraw/zinc/59/53/75/1081595375.db2.gz RFMYCAXVHFILTL-PZJWPPBQSA-N 1 3 368.521 4.267 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698458 1081595380 /nfs/dbraw/zinc/59/53/80/1081595380.db2.gz RFMYCAXVHFILTL-PZJWPPBQSA-N 1 3 368.521 4.267 20 0 FIADHO c1ccc(C2(C[NH2+]C3CCN(C4CCCCC4)CC3)CCOCC2)cc1 ZINC000153579770 1082032970 /nfs/dbraw/zinc/03/29/70/1082032970.db2.gz ZJHNRIDRDOEMGI-UHFFFAOYSA-N 1 3 356.554 4.122 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312974731 1082109204 /nfs/dbraw/zinc/10/92/04/1082109204.db2.gz KSVRTPXZODJCHA-SVMVAKDDSA-N 1 3 365.521 4.206 20 0 FIADHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430581506 1082519447 /nfs/dbraw/zinc/51/94/47/1082519447.db2.gz OQWCGICURZOUTO-ABSDTBQOSA-N 1 3 351.494 4.059 20 0 FIADHO CCCN1CCC([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000510422630 1082560720 /nfs/dbraw/zinc/56/07/20/1082560720.db2.gz WXTDEYAQKLDABV-UHFFFAOYSA-N 1 3 353.510 4.489 20 0 FIADHO CCCN1CCC([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000510422630 1082560724 /nfs/dbraw/zinc/56/07/24/1082560724.db2.gz WXTDEYAQKLDABV-UHFFFAOYSA-N 1 3 353.510 4.489 20 0 FIADHO Clc1cccc2c1CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656684988 1082715929 /nfs/dbraw/zinc/71/59/29/1082715929.db2.gz ZODXHIZKABPNKZ-NRFANRHFSA-N 1 3 355.913 4.224 20 0 FIADHO COCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647169279 1082723919 /nfs/dbraw/zinc/72/39/19/1082723919.db2.gz IVTSFJHBMIYTJU-QFIPXVFZSA-N 1 3 350.506 4.120 20 0 FIADHO COCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647169279 1082723926 /nfs/dbraw/zinc/72/39/26/1082723926.db2.gz IVTSFJHBMIYTJU-QFIPXVFZSA-N 1 3 350.506 4.120 20 0 FIADHO Fc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656784359 1082768813 /nfs/dbraw/zinc/76/88/13/1082768813.db2.gz CPTFGGAWLLLILN-QGZVFWFLSA-N 1 3 359.514 4.161 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755900 1082871730 /nfs/dbraw/zinc/87/17/30/1082871730.db2.gz KRLPLTAAIWRVSC-LZNRXBQRSA-N 1 3 370.562 4.179 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755900 1082871734 /nfs/dbraw/zinc/87/17/34/1082871734.db2.gz KRLPLTAAIWRVSC-LZNRXBQRSA-N 1 3 370.562 4.179 20 0 FIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccccc2OC(F)F)CC1 ZINC000471764513 1082961150 /nfs/dbraw/zinc/96/11/50/1082961150.db2.gz YHJOXLNJVLOMIF-VQIMIIECSA-N 1 3 366.496 4.463 20 0 FIADHO Clc1cccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152678638 1082984205 /nfs/dbraw/zinc/98/42/05/1082984205.db2.gz PPLYXIZBKHUIAA-UHFFFAOYSA-N 1 3 358.917 4.038 20 0 FIADHO CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658288437 1083394089 /nfs/dbraw/zinc/39/40/89/1083394089.db2.gz PHUYPAQOMKQNKC-TZYHBYERSA-N 1 3 370.537 4.036 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320434 1083408543 /nfs/dbraw/zinc/40/85/43/1083408543.db2.gz YDENUTMZUMBHEX-GHTZIAJQSA-N 1 3 350.506 4.345 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000192818084 1083513397 /nfs/dbraw/zinc/51/33/97/1083513397.db2.gz AFPDVHQWVQENHK-JOCHJYFZSA-N 1 3 353.510 4.054 20 0 FIADHO C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181345849 1083878456 /nfs/dbraw/zinc/87/84/56/1083878456.db2.gz PYIXNXQDQKGJMU-KRWDZBQOSA-N 1 3 371.525 4.050 20 0 FIADHO COc1cccc(SCC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001167506051 1084205814 /nfs/dbraw/zinc/20/58/14/1084205814.db2.gz XMODYLRFPMIAGV-HXUWFJFHSA-N 1 3 370.562 4.241 20 0 FIADHO COc1cccc(SCC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001167506051 1084205821 /nfs/dbraw/zinc/20/58/21/1084205821.db2.gz XMODYLRFPMIAGV-HXUWFJFHSA-N 1 3 370.562 4.241 20 0 FIADHO COCc1csc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000657373940 1084794676 /nfs/dbraw/zinc/79/46/76/1084794676.db2.gz AZDUGIDHGSKEMT-CRAIPNDOSA-N 1 3 350.553 4.129 20 0 FIADHO COCc1csc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000657373940 1084794679 /nfs/dbraw/zinc/79/46/79/1084794679.db2.gz AZDUGIDHGSKEMT-CRAIPNDOSA-N 1 3 350.553 4.129 20 0 FIADHO Fc1cccc(CC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001167559094 1084818390 /nfs/dbraw/zinc/81/83/90/1084818390.db2.gz XGAOFVILMYMYET-QHCPKHFHSA-N 1 3 352.497 4.356 20 0 FIADHO Fc1cccc(CC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001167559094 1084818395 /nfs/dbraw/zinc/81/83/95/1084818395.db2.gz XGAOFVILMYMYET-QHCPKHFHSA-N 1 3 352.497 4.356 20 0 FIADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652137273 1085182142 /nfs/dbraw/zinc/18/21/42/1085182142.db2.gz FFZXXEIQMPTXAF-IBGZPJMESA-N 1 3 372.509 4.015 20 0 FIADHO COc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000582681514 1085368082 /nfs/dbraw/zinc/36/80/82/1085368082.db2.gz YIWUAVMEGBNDOG-BQFCYCMXSA-N 1 3 373.928 4.305 20 0 FIADHO Cc1ccc2[nH]c(CN3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000473132656 1085731776 /nfs/dbraw/zinc/73/17/76/1085731776.db2.gz NWQPBJMXNWHYGM-ROUUACIJSA-N 1 3 369.553 4.106 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000120451611 1085838098 /nfs/dbraw/zinc/83/80/98/1085838098.db2.gz WYVLYYGTEMRANL-QGZVFWFLSA-N 1 3 353.510 4.338 20 0 FIADHO Clc1ccc(-c2cnc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662295988 1086401482 /nfs/dbraw/zinc/40/14/82/1086401482.db2.gz JPTDAFQCXQCXPM-QGZVFWFLSA-N 1 3 359.901 4.207 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290504 1086530063 /nfs/dbraw/zinc/53/00/63/1086530063.db2.gz ZOYHWNOSWSGQQH-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290504 1086530071 /nfs/dbraw/zinc/53/00/71/1086530071.db2.gz ZOYHWNOSWSGQQH-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO COc1cccc(OC)c1CNCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512044820 1086699305 /nfs/dbraw/zinc/69/93/05/1086699305.db2.gz ICOXYVGPPOBXJR-AZUAARDMSA-N 1 3 368.521 4.094 20 0 FIADHO COc1cccc(OC)c1CNCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044820 1086699308 /nfs/dbraw/zinc/69/93/08/1086699308.db2.gz ICOXYVGPPOBXJR-AZUAARDMSA-N 1 3 368.521 4.094 20 0 FIADHO CN(C)Cc1cccc(NC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000091629698 1087432348 /nfs/dbraw/zinc/43/23/48/1087432348.db2.gz NHZSUINYRKBCRW-UHFFFAOYSA-N 1 3 366.509 4.029 20 0 FIADHO CN(C)Cc1cccc(NC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000091629698 1087432351 /nfs/dbraw/zinc/43/23/51/1087432351.db2.gz NHZSUINYRKBCRW-UHFFFAOYSA-N 1 3 366.509 4.029 20 0 FIADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Br)c(Cl)c1 ZINC000658028395 1087698875 /nfs/dbraw/zinc/69/88/75/1087698875.db2.gz DHQWBBNMSMDJSK-NDNKKMJESA-N 1 3 357.723 4.378 20 0 FIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccnc4ccccc34)CC2)C1 ZINC000658125360 1087732280 /nfs/dbraw/zinc/73/22/80/1087732280.db2.gz BFJJAIOGLJLVSH-GHTZIAJQSA-N 1 3 351.538 4.410 20 0 FIADHO Cc1ccc([C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CCCC2)o1 ZINC000658141960 1087733270 /nfs/dbraw/zinc/73/32/70/1087733270.db2.gz YGRHUUSMBIZBQK-FYYLOGMGSA-N 1 3 368.521 4.176 20 0 FIADHO Cc1ccc([C@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CCCC2)o1 ZINC000658141960 1087733281 /nfs/dbraw/zinc/73/32/81/1087733281.db2.gz YGRHUUSMBIZBQK-FYYLOGMGSA-N 1 3 368.521 4.176 20 0 FIADHO CC(C)c1nc([C@@H](C)NCC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000658163925 1087757426 /nfs/dbraw/zinc/75/74/26/1087757426.db2.gz BZXMSIFRCKIILI-MRXNPFEDSA-N 1 3 358.555 4.224 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000658163899 1087757795 /nfs/dbraw/zinc/75/77/95/1087757795.db2.gz BXTAEBIXAIOGKW-MRXNPFEDSA-N 1 3 351.485 4.097 20 0 FIADHO CCC[C@H](Cc1ccccc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165701 1087760578 /nfs/dbraw/zinc/76/05/78/1087760578.db2.gz KOGDTNOYEFABAN-HSZRJFAPSA-N 1 3 351.538 4.295 20 0 FIADHO c1ccc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccn2)cc1 ZINC000658166348 1087761623 /nfs/dbraw/zinc/76/16/23/1087761623.db2.gz NVOVUGXBQIQXSB-XMMPIXPASA-N 1 3 372.516 4.068 20 0 FIADHO c1ccc([C@@H](NCC2CC[NH+](Cc3ccncc3)CC2)c2ccccn2)cc1 ZINC000658166348 1087761633 /nfs/dbraw/zinc/76/16/33/1087761633.db2.gz NVOVUGXBQIQXSB-XMMPIXPASA-N 1 3 372.516 4.068 20 0 FIADHO Cc1ccccc1C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658167755 1087764264 /nfs/dbraw/zinc/76/42/64/1087764264.db2.gz UCEVDZVJBBNKFV-XMMPIXPASA-N 1 3 363.549 4.213 20 0 FIADHO c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167226 1087764544 /nfs/dbraw/zinc/76/45/44/1087764544.db2.gz QVDPRPMHBNIWPI-FQEVSTJZSA-N 1 3 353.535 4.120 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000658167766 1087764569 /nfs/dbraw/zinc/76/45/69/1087764569.db2.gz UGNFDNNANMGIBW-CQSZACIVSA-N 1 3 363.427 4.062 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccccc2-c2ccccc2)CC1 ZINC000472588063 1087870740 /nfs/dbraw/zinc/87/07/40/1087870740.db2.gz CGBYAVXNXCHJBF-UHFFFAOYSA-N 1 3 365.565 4.202 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccccc2-c2ccccc2)CC1 ZINC000472588063 1087870768 /nfs/dbraw/zinc/87/07/68/1087870768.db2.gz CGBYAVXNXCHJBF-UHFFFAOYSA-N 1 3 365.565 4.202 20 0 FIADHO C[C@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2ccccc2Cl)cc1 ZINC000414815892 1088248190 /nfs/dbraw/zinc/24/81/90/1088248190.db2.gz YSGQQCQVNZDOTC-AWEZNQCLSA-N 1 3 354.885 4.050 20 0 FIADHO CC[NH+]1CCC(N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000311246582 1088445072 /nfs/dbraw/zinc/44/50/72/1088445072.db2.gz LBIUCCRDIPBNAI-IBGZPJMESA-N 1 3 359.514 4.095 20 0 FIADHO c1ccc(COc2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000178954723 1088724386 /nfs/dbraw/zinc/72/43/86/1088724386.db2.gz VOEXDOOKSFIQEU-FCHUYYIVSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2ccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000178954723 1088724403 /nfs/dbraw/zinc/72/44/03/1088724403.db2.gz VOEXDOOKSFIQEU-FCHUYYIVSA-N 1 3 350.506 4.025 20 0 FIADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000189018409 1089033082 /nfs/dbraw/zinc/03/30/82/1089033082.db2.gz XGCXKOFLKQHLAS-HQNXYIODSA-N 1 3 369.597 4.062 20 0 FIADHO C[N@H+]1CCCC[C@H]1CN1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000189018409 1089033097 /nfs/dbraw/zinc/03/30/97/1089033097.db2.gz XGCXKOFLKQHLAS-HQNXYIODSA-N 1 3 369.597 4.062 20 0 FIADHO COc1ccccc1-c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059370 1089094964 /nfs/dbraw/zinc/09/49/64/1089094964.db2.gz WTXIQLRFNYGQDB-IRLDBZIGSA-N 1 3 350.506 4.326 20 0 FIADHO Cc1cc(Br)ccc1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415090489 1089142557 /nfs/dbraw/zinc/14/25/57/1089142557.db2.gz OZTYXCHRWYLRJZ-OALUTQOASA-N 1 3 359.311 4.340 20 0 FIADHO Cc1cc(Br)ccc1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415090490 1089142845 /nfs/dbraw/zinc/14/28/45/1089142845.db2.gz OZTYXCHRWYLRJZ-RBUKOAKNSA-N 1 3 359.311 4.340 20 0 FIADHO CSc1cccc([C@@H](NCC2CC[NH2+]CC2)c2cc(F)ccc2F)c1 ZINC000415085605 1089145394 /nfs/dbraw/zinc/14/53/94/1089145394.db2.gz SVSPFRIFQWERFL-HXUWFJFHSA-N 1 3 362.489 4.365 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125089 1089306203 /nfs/dbraw/zinc/30/62/03/1089306203.db2.gz UVPKUSSOUXDQHK-QGZVFWFLSA-N 1 3 356.514 4.146 20 0 FIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125089 1089306216 /nfs/dbraw/zinc/30/62/16/1089306216.db2.gz UVPKUSSOUXDQHK-QGZVFWFLSA-N 1 3 356.514 4.146 20 0 FIADHO Cc1nc2ccccn2c1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000514744537 1089420982 /nfs/dbraw/zinc/42/09/82/1089420982.db2.gz CNELJYDTHCIKEW-SFHVURJKSA-N 1 3 354.542 4.119 20 0 FIADHO Cc1nc2ccccn2c1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000514744537 1089420990 /nfs/dbraw/zinc/42/09/90/1089420990.db2.gz CNELJYDTHCIKEW-SFHVURJKSA-N 1 3 354.542 4.119 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CCC[C@H]([NH+](C)C)C2)c1C ZINC000462810744 1089721446 /nfs/dbraw/zinc/72/14/46/1089721446.db2.gz KWPWZUYWVQPCDK-HNNXBMFYSA-N 1 3 362.315 4.145 20 0 FIADHO Nc1ccc(F)cc1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000709268043 1090977793 /nfs/dbraw/zinc/97/77/93/1090977793.db2.gz XGLNOTKHVCFNRZ-UHFFFAOYSA-N 1 3 367.512 4.286 20 0 FIADHO O[C@H](CN1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759848992 1091315791 /nfs/dbraw/zinc/31/57/91/1091315791.db2.gz MTPYSZQNQLRVRV-HXUWFJFHSA-N 1 3 368.924 4.101 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000467434795 1092234318 /nfs/dbraw/zinc/23/43/18/1092234318.db2.gz FOOQXPFNLGDBJC-PGRDOPGGSA-N 1 3 354.542 4.257 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000467434795 1092234327 /nfs/dbraw/zinc/23/43/27/1092234327.db2.gz FOOQXPFNLGDBJC-PGRDOPGGSA-N 1 3 354.542 4.257 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC(C)(C)c3cc(OC)ccc32)[C@H](C)C1 ZINC000474039342 1092838104 /nfs/dbraw/zinc/83/81/04/1092838104.db2.gz SUHTWKDLPUXYCF-WTNAPCKOSA-N 1 3 374.569 4.144 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CC(C)(C)c3cc(OC)ccc32)[C@H](C)C1 ZINC000474039342 1092838113 /nfs/dbraw/zinc/83/81/13/1092838113.db2.gz SUHTWKDLPUXYCF-WTNAPCKOSA-N 1 3 374.569 4.144 20 0 FIADHO C[NH+]1CCC2(CCN(Cc3cc(OC(F)(F)F)ccc3F)CC2)CC1 ZINC001143549813 1092886524 /nfs/dbraw/zinc/88/65/24/1092886524.db2.gz AURBNCCYCVMDST-UHFFFAOYSA-N 1 3 360.395 4.032 20 0 FIADHO C[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)N1[C@H](C)CC[C@H]1C ZINC000443212204 1092985905 /nfs/dbraw/zinc/98/59/05/1092985905.db2.gz LVBVCOCTQQFJLW-ZACQAIPSSA-N 1 3 354.498 4.266 20 0 FIADHO C[C@H](CCN1CCC[C@@]2(CCSC2)C1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161810 /nfs/dbraw/zinc/16/18/10/1093161810.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CCN1CCC[C@@]2(CCSC2)C1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161812 /nfs/dbraw/zinc/16/18/12/1093161812.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161817 /nfs/dbraw/zinc/16/18/17/1093161817.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@H+]1CCC[C@@]2(CCSC2)C1)N1CCC[C@]2(CCSC2)C1 ZINC000451963981 1093161820 /nfs/dbraw/zinc/16/18/20/1093161820.db2.gz IJUJKIBKINCSLS-AQNXPRMDSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@@H]1CC([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168018132 1093164304 /nfs/dbraw/zinc/16/43/04/1093164304.db2.gz BTBONRNAFDYIRU-DRSNIGMVSA-N 1 3 372.940 4.405 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168018134 1093164654 /nfs/dbraw/zinc/16/46/54/1093164654.db2.gz BTBONRNAFDYIRU-WOSNLTMFSA-N 1 3 372.940 4.405 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)N(O)C2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018836 1093173918 /nfs/dbraw/zinc/17/39/18/1093173918.db2.gz FLPXBCVMHYSHSA-PIKOESSRSA-N 1 3 359.558 4.038 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)N(O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018836 1093173921 /nfs/dbraw/zinc/17/39/21/1093173921.db2.gz FLPXBCVMHYSHSA-PIKOESSRSA-N 1 3 359.558 4.038 20 0 FIADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474073456 1093186008 /nfs/dbraw/zinc/18/60/08/1093186008.db2.gz MKRNHZXIAJPPCN-INIZCTEOSA-N 1 3 356.341 4.035 20 0 FIADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474073457 1093186464 /nfs/dbraw/zinc/18/64/64/1093186464.db2.gz MKRNHZXIAJPPCN-MRXNPFEDSA-N 1 3 356.341 4.035 20 0 FIADHO CC(C)C[C@H](CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149745 1093465474 /nfs/dbraw/zinc/46/54/74/1093465474.db2.gz JREQVDQYHCEHOT-WPFOTENUSA-N 1 3 371.613 4.307 20 0 FIADHO Fc1cc(Br)ccc1CNCCCCC[NH+]1CCCCC1 ZINC000500918035 1093513619 /nfs/dbraw/zinc/51/36/19/1093513619.db2.gz MGEISFAKYLWQTP-UHFFFAOYSA-N 1 3 357.311 4.334 20 0 FIADHO Fc1ccc(Br)cc1CNCCCCC[NH+]1CCCCC1 ZINC000500919265 1093527401 /nfs/dbraw/zinc/52/74/01/1093527401.db2.gz OCSQTFZMVQPMFW-UHFFFAOYSA-N 1 3 357.311 4.334 20 0 FIADHO Cc1c(F)cccc1[C@@H](CO)[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168031590 1093639161 /nfs/dbraw/zinc/63/91/61/1093639161.db2.gz ZZNBCXFJLXSHEX-SEPYTNNBSA-N 1 3 370.512 4.199 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221868 1094018241 /nfs/dbraw/zinc/01/82/41/1094018241.db2.gz FIDILZLDNQIPQG-WTIAFYNJSA-N 1 3 352.522 4.143 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221868 1094018246 /nfs/dbraw/zinc/01/82/46/1094018246.db2.gz FIDILZLDNQIPQG-WTIAFYNJSA-N 1 3 352.522 4.143 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363055 1094080542 /nfs/dbraw/zinc/08/05/42/1094080542.db2.gz GUFMEWKIRFLSPN-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363055 1094080549 /nfs/dbraw/zinc/08/05/49/1094080549.db2.gz GUFMEWKIRFLSPN-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1CC(NC[C@H]2CCc3ccccc3O2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168036736 1094298067 /nfs/dbraw/zinc/29/80/67/1094298067.db2.gz WSGFMFAQRJFOAW-SFYKDHMMSA-N 1 3 364.533 4.411 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000501013541 1094431347 /nfs/dbraw/zinc/43/13/47/1094431347.db2.gz ZVOSGDMIEPTRNM-OAQYLSRUSA-N 1 3 363.977 4.187 20 0 FIADHO Cc1nc([C@@H](C)N2CCC3(C2)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000420308269 1094873238 /nfs/dbraw/zinc/87/32/38/1094873238.db2.gz NIMGCBOLAKKFLY-OAHLLOKOSA-N 1 3 359.901 4.440 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000502880585 1095917133 /nfs/dbraw/zinc/91/71/33/1095917133.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000502880585 1095917136 /nfs/dbraw/zinc/91/71/36/1095917136.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502880585 1095917142 /nfs/dbraw/zinc/91/71/42/1095917142.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502880585 1095917146 /nfs/dbraw/zinc/91/71/46/1095917146.db2.gz QGNXQXUKYHZHSL-LPHOPBHVSA-N 1 3 350.934 4.087 20 0 FIADHO CC[NH2+]CC1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000414658926 1096358633 /nfs/dbraw/zinc/35/86/33/1096358633.db2.gz KKLYISRCQMLKBZ-UHFFFAOYSA-N 1 3 355.507 4.378 20 0 FIADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000414663884 1096375900 /nfs/dbraw/zinc/37/59/00/1096375900.db2.gz SEDVPKAIYSUEGC-RBUKOAKNSA-N 1 3 360.505 4.017 20 0 FIADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCSc1ccccc1Br ZINC000422759073 1096474876 /nfs/dbraw/zinc/47/48/76/1096474876.db2.gz OVAJGZATPZWIQC-DZGCQCFKSA-N 1 3 357.361 4.038 20 0 FIADHO COc1ccc([C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C(C)C)cc1 ZINC000422786469 1096491119 /nfs/dbraw/zinc/49/11/19/1096491119.db2.gz OXPSXOMLTIQWRH-MDNUFGMLSA-N 1 3 366.505 4.238 20 0 FIADHO Cc1nc(-c2ccc(CCN[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])s2)cs1 ZINC000422796991 1096493944 /nfs/dbraw/zinc/49/39/44/1096493944.db2.gz KUQUIIJKMMNFRF-KDOFPFPSSA-N 1 3 371.575 4.271 20 0 FIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(-c2cccnc2)cc1 ZINC000422813887 1096498623 /nfs/dbraw/zinc/49/86/23/1096498623.db2.gz YUXJCKNCBBWYPL-LADGPHEKSA-N 1 3 371.484 4.094 20 0 FIADHO c1nc2ccccc2n1Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422828249 1096500288 /nfs/dbraw/zinc/50/02/88/1096500288.db2.gz ODRSJNJTAHLAAZ-BHDDXSALSA-N 1 3 374.532 4.095 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825148 1096500357 /nfs/dbraw/zinc/50/03/57/1096500357.db2.gz JDLWIRLDHUATJE-BFUOFWGJSA-N 1 3 361.436 4.178 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825150 1096500879 /nfs/dbraw/zinc/50/08/79/1096500879.db2.gz JDLWIRLDHUATJE-ORAYPTAESA-N 1 3 361.436 4.178 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422834880 1096501825 /nfs/dbraw/zinc/50/18/25/1096501825.db2.gz HXAHSAJEBVZWBY-MRXNPFEDSA-N 1 3 373.500 4.301 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422911478 1096522245 /nfs/dbraw/zinc/52/22/45/1096522245.db2.gz SXZOBTWVOXELAR-CYBMUJFWSA-N 1 3 365.443 4.496 20 0 FIADHO Cc1sc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)nc1-c1ccccc1 ZINC000422924710 1096525743 /nfs/dbraw/zinc/52/57/43/1096525743.db2.gz BAIPCIPUKVKYFT-CQSZACIVSA-N 1 3 366.534 4.174 20 0 FIADHO c1ccc2c(c1)cccc2OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422933989 1096529071 /nfs/dbraw/zinc/52/90/71/1096529071.db2.gz BWKKJCWPGBZTIE-ZJSXRUAMSA-N 1 3 374.484 4.064 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC1(c2cccc(Br)c2)CCC1 ZINC000422937948 1096530750 /nfs/dbraw/zinc/53/07/50/1096530750.db2.gz KDLWQNFQCQTJDF-AWEZNQCLSA-N 1 3 374.326 4.341 20 0 FIADHO COc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)cc1OC ZINC000422917719 1096532550 /nfs/dbraw/zinc/53/25/50/1096532550.db2.gz GQIFXPQOXWQMDR-XOBRGWDASA-N 1 3 362.901 4.164 20 0 FIADHO COc1ccc([C@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)cc1OC ZINC000422917718 1096532889 /nfs/dbraw/zinc/53/28/89/1096532889.db2.gz GQIFXPQOXWQMDR-VLIAUNLRSA-N 1 3 362.901 4.164 20 0 FIADHO c1ccc(-c2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)nc1 ZINC000422993807 1096542612 /nfs/dbraw/zinc/54/26/12/1096542612.db2.gz GHQICHTXIPEQNP-LADGPHEKSA-N 1 3 371.484 4.094 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423059263 1096560567 /nfs/dbraw/zinc/56/05/67/1096560567.db2.gz LJGNUPDIFYQYDW-ZDUSSCGKSA-N 1 3 363.427 4.250 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423059262 1096560858 /nfs/dbraw/zinc/56/08/58/1096560858.db2.gz LJGNUPDIFYQYDW-CYBMUJFWSA-N 1 3 363.427 4.250 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423142473 1096594727 /nfs/dbraw/zinc/59/47/27/1096594727.db2.gz VIIZDSXAZLAEQT-DDUZABMNSA-N 1 3 374.326 4.208 20 0 FIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423188381 1096611170 /nfs/dbraw/zinc/61/11/70/1096611170.db2.gz NPYZNRCAFYWVEK-INIZCTEOSA-N 1 3 366.534 4.344 20 0 FIADHO Clc1ccc2c(c1Cl)CC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423190834 1096611966 /nfs/dbraw/zinc/61/19/66/1096611966.db2.gz RPQAPSWVAJPCMP-KRWDZBQOSA-N 1 3 350.293 4.145 20 0 FIADHO Cc1c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1-c1ccc(F)cc1 ZINC000423290910 1096636111 /nfs/dbraw/zinc/63/61/11/1096636111.db2.gz FWUIXTDDFFDNML-LSDHHAIUSA-N 1 3 352.457 4.190 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3sc(Br)cc32)cc1 ZINC000423293159 1096637034 /nfs/dbraw/zinc/63/70/34/1096637034.db2.gz QASAPGUGVSJZCA-HZMBPMFUSA-N 1 3 351.313 4.307 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000423294528 1096643404 /nfs/dbraw/zinc/64/34/04/1096643404.db2.gz UQMHCAGTXVKGDF-KBPBESRZSA-N 1 3 352.400 4.498 20 0 FIADHO Cc1c([C@@H](C)NCC2=CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423346792 1096646661 /nfs/dbraw/zinc/64/66/61/1096646661.db2.gz PQDYYGMSTJNKCT-GFCCVEGCSA-N 1 3 365.308 4.058 20 0 FIADHO Nc1ccc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423359229 1096656403 /nfs/dbraw/zinc/65/64/03/1096656403.db2.gz URWVPXAZXNVRFL-PIATZUFCSA-N 1 3 361.533 4.431 20 0 FIADHO Nc1ccc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359229 1096656404 /nfs/dbraw/zinc/65/64/04/1096656404.db2.gz URWVPXAZXNVRFL-PIATZUFCSA-N 1 3 361.533 4.431 20 0 FIADHO c1ccc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc3ccccc3n2)cc1 ZINC000423430733 1096683300 /nfs/dbraw/zinc/68/33/00/1096683300.db2.gz IGUABCYQSVQLDT-ZTCOLXNVSA-N 1 3 357.501 4.302 20 0 FIADHO COc1cc(OC)c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423496700 1096708104 /nfs/dbraw/zinc/70/81/04/1096708104.db2.gz FKDMDSNMELJTKH-KDOFPFPSSA-N 1 3 362.901 4.488 20 0 FIADHO COc1ccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2Cl)cc1 ZINC000423549432 1096719074 /nfs/dbraw/zinc/71/90/74/1096719074.db2.gz RXKFNSYBXLVBNA-FBAVSBLXSA-N 1 3 370.924 4.416 20 0 FIADHO COc1ccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2Cl)cc1 ZINC000423549433 1096719415 /nfs/dbraw/zinc/71/94/15/1096719415.db2.gz RXKFNSYBXLVBNA-FOUBCARRSA-N 1 3 370.924 4.416 20 0 FIADHO Fc1ccccc1-c1ccc(CNCCC[NH2+]Cc2cccnc2)s1 ZINC000414878101 1098719230 /nfs/dbraw/zinc/71/92/30/1098719230.db2.gz NIZMTPSLUFQFIY-UHFFFAOYSA-N 1 3 355.482 4.219 20 0 FIADHO Fc1cccc2[nH]c(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc21 ZINC000436273700 1098900529 /nfs/dbraw/zinc/90/05/29/1098900529.db2.gz JVVWMVDPCKXAFZ-HNNXBMFYSA-N 1 3 357.498 4.370 20 0 FIADHO Fc1cccc2[nH]c(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000436273700 1098900535 /nfs/dbraw/zinc/90/05/35/1098900535.db2.gz JVVWMVDPCKXAFZ-HNNXBMFYSA-N 1 3 357.498 4.370 20 0 FIADHO C[C@@H]1C[C@H](NCc2cc3c(cccc3F)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000436298649 1098911275 /nfs/dbraw/zinc/91/12/75/1098911275.db2.gz ZLNCRFBCMIPSNA-SJLPKXTDSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@@H]1C[C@H](NCc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298649 1098911276 /nfs/dbraw/zinc/91/12/76/1098911276.db2.gz ZLNCRFBCMIPSNA-SJLPKXTDSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301832 1098916036 /nfs/dbraw/zinc/91/60/36/1098916036.db2.gz OTIHAPJGTIOWBH-IERDGZPVSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301832 1098916040 /nfs/dbraw/zinc/91/60/40/1098916040.db2.gz OTIHAPJGTIOWBH-IERDGZPVSA-N 1 3 351.469 4.307 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000161754239 1099534246 /nfs/dbraw/zinc/53/42/46/1099534246.db2.gz JMQJRGGICDYAJN-LJQANCHMSA-N 1 3 374.573 4.333 20 0 FIADHO COc1ccc([C@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000162265312 1099668594 /nfs/dbraw/zinc/66/85/94/1099668594.db2.gz OUTSXDCCGQOMGR-CVEARBPZSA-N 1 3 360.473 4.187 20 0 FIADHO C[C@H]1c2cccn2CCN1CCCCCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000729815061 1099697417 /nfs/dbraw/zinc/69/74/17/1099697417.db2.gz NAWFDWDRBUZKDE-PMACEKPBSA-N 1 3 354.542 4.303 20 0 FIADHO C[C@H]1c2cccn2CCN1CCCCCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000729815061 1099697427 /nfs/dbraw/zinc/69/74/27/1099697427.db2.gz NAWFDWDRBUZKDE-PMACEKPBSA-N 1 3 354.542 4.303 20 0 FIADHO CCOCc1ccccc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694343 1099826580 /nfs/dbraw/zinc/82/65/80/1099826580.db2.gz CPYNMDKYTMWMRC-KNQAVFIVSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694343 1099826592 /nfs/dbraw/zinc/82/65/92/1099826592.db2.gz CPYNMDKYTMWMRC-KNQAVFIVSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508694343 1099826604 /nfs/dbraw/zinc/82/66/04/1099826604.db2.gz CPYNMDKYTMWMRC-KNQAVFIVSA-N 1 3 352.522 4.223 20 0 FIADHO COc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1Cl ZINC000162552615 1099841665 /nfs/dbraw/zinc/84/16/65/1099841665.db2.gz DWIWNOHYXPZIEG-OAHLLOKOSA-N 1 3 362.901 4.140 20 0 FIADHO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508713928 1099886550 /nfs/dbraw/zinc/88/65/50/1099886550.db2.gz AQHMRHPIGYHDDE-FXAWDEMLSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508709832 1099899915 /nfs/dbraw/zinc/89/99/15/1099899915.db2.gz JWNLOLYUTWNSMH-GDKQOWJMSA-N 1 3 364.533 4.407 20 0 FIADHO CO[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721163 1099939069 /nfs/dbraw/zinc/93/90/69/1099939069.db2.gz UANVVRIKQWTLBG-PIPMEXSNSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721163 1099939072 /nfs/dbraw/zinc/93/90/72/1099939072.db2.gz UANVVRIKQWTLBG-PIPMEXSNSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721163 1099939076 /nfs/dbraw/zinc/93/90/76/1099939076.db2.gz UANVVRIKQWTLBG-PIPMEXSNSA-N 1 3 356.485 4.013 20 0 FIADHO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000517187776 1100159865 /nfs/dbraw/zinc/15/98/65/1100159865.db2.gz YKJJSRKGZYWFHP-LRXVAGHRSA-N 1 3 350.506 4.270 20 0 FIADHO COc1ccccc1/C=C/C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673995 1100160472 /nfs/dbraw/zinc/16/04/72/1100160472.db2.gz IZXRIRAWACNKRJ-NBILRRPASA-N 1 3 350.506 4.162 20 0 FIADHO COc1ccccc1/C=C/C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673995 1100160480 /nfs/dbraw/zinc/16/04/80/1100160480.db2.gz IZXRIRAWACNKRJ-NBILRRPASA-N 1 3 350.506 4.162 20 0 FIADHO COc1ccccc1/C=C\C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673996 1100160877 /nfs/dbraw/zinc/16/08/77/1100160877.db2.gz IZXRIRAWACNKRJ-PRUHCIRGSA-N 1 3 350.506 4.162 20 0 FIADHO COc1ccccc1/C=C\C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673996 1100160892 /nfs/dbraw/zinc/16/08/92/1100160892.db2.gz IZXRIRAWACNKRJ-PRUHCIRGSA-N 1 3 350.506 4.162 20 0 FIADHO CCOc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440426 1100175840 /nfs/dbraw/zinc/17/58/40/1100175840.db2.gz USMPOKPKQUUGBA-OXQOHEQNSA-N 1 3 360.523 4.025 20 0 FIADHO CCOc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440426 1100175846 /nfs/dbraw/zinc/17/58/46/1100175846.db2.gz USMPOKPKQUUGBA-OXQOHEQNSA-N 1 3 360.523 4.025 20 0 FIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000439143901 1101199069 /nfs/dbraw/zinc/19/90/69/1101199069.db2.gz TUZHBTKWYDFZNP-ZENOOKHLSA-N 1 3 357.361 4.424 20 0 FIADHO Brc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000426325185 1101259410 /nfs/dbraw/zinc/25/94/10/1101259410.db2.gz UMODVYFKWBLHCM-HOTGVXAUSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000426325185 1101259414 /nfs/dbraw/zinc/25/94/14/1101259414.db2.gz UMODVYFKWBLHCM-HOTGVXAUSA-N 1 3 363.343 4.087 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335905 1101301463 /nfs/dbraw/zinc/30/14/63/1101301463.db2.gz RFHJRMKVVDLTLU-PVUWLOKVSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335905 1101301472 /nfs/dbraw/zinc/30/14/72/1101301472.db2.gz RFHJRMKVVDLTLU-PVUWLOKVSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000426345734 1101323886 /nfs/dbraw/zinc/32/38/86/1101323886.db2.gz NCDAAWIKHKPSAK-KKSFZXQISA-N 1 3 356.535 4.005 20 0 FIADHO C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000426355033 1101351551 /nfs/dbraw/zinc/35/15/51/1101351551.db2.gz XKWGKCOEHUQONI-WCIYBSDLSA-N 1 3 370.562 4.251 20 0 FIADHO C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000426355033 1101351565 /nfs/dbraw/zinc/35/15/65/1101351565.db2.gz XKWGKCOEHUQONI-WCIYBSDLSA-N 1 3 370.562 4.251 20 0 FIADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459741297 1101366905 /nfs/dbraw/zinc/36/69/05/1101366905.db2.gz VGSFALYDSREOSR-KRWDZBQOSA-N 1 3 373.928 4.136 20 0 FIADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459741297 1101366920 /nfs/dbraw/zinc/36/69/20/1101366920.db2.gz VGSFALYDSREOSR-KRWDZBQOSA-N 1 3 373.928 4.136 20 0 FIADHO Fc1ccc([C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000350 1101387917 /nfs/dbraw/zinc/38/79/17/1101387917.db2.gz BKSROJDXAQVPRI-CVDCTZTESA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000350 1101387929 /nfs/dbraw/zinc/38/79/29/1101387929.db2.gz BKSROJDXAQVPRI-CVDCTZTESA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000350 1101387942 /nfs/dbraw/zinc/38/79/42/1101387942.db2.gz BKSROJDXAQVPRI-CVDCTZTESA-N 1 3 352.497 4.431 20 0 FIADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013765 1101394529 /nfs/dbraw/zinc/39/45/29/1101394529.db2.gz QODUNEOYGMFSCH-YTFSRNRJSA-N 1 3 374.544 4.415 20 0 FIADHO CCCN1CCC([NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000537107474 1101473263 /nfs/dbraw/zinc/47/32/63/1101473263.db2.gz CJDHDRPBBGOGQI-OAQYLSRUSA-N 1 3 356.485 4.410 20 0 FIADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537190272 1101524355 /nfs/dbraw/zinc/52/43/55/1101524355.db2.gz YVYNWLTWZUIEAF-OAOOKAIFSA-N 1 3 362.517 4.498 20 0 FIADHO C[C@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)N(C)Cc1ccccc1 ZINC000440324082 1102210350 /nfs/dbraw/zinc/21/03/50/1102210350.db2.gz FFIBGICWKUFXOQ-QGZVFWFLSA-N 1 3 366.534 4.205 20 0 FIADHO C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1OC(F)F ZINC000120972911 1102292270 /nfs/dbraw/zinc/29/22/70/1102292270.db2.gz UIZANEFSBREMLM-LBPRGKRZSA-N 1 3 370.390 4.479 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1OC(F)F ZINC000120972911 1102292284 /nfs/dbraw/zinc/29/22/84/1102292284.db2.gz UIZANEFSBREMLM-LBPRGKRZSA-N 1 3 370.390 4.479 20 0 FIADHO FC(F)(F)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167968630 1102326445 /nfs/dbraw/zinc/32/64/45/1102326445.db2.gz UJXZDHWHDKNIHV-YQQQUEKLSA-N 1 3 352.444 4.243 20 0 FIADHO FC(F)(F)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167968630 1102326458 /nfs/dbraw/zinc/32/64/58/1102326458.db2.gz UJXZDHWHDKNIHV-YQQQUEKLSA-N 1 3 352.444 4.243 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)CCN1Cc1ccccc1 ZINC000532441723 1102329836 /nfs/dbraw/zinc/32/98/36/1102329836.db2.gz FHAKPWRZKLRPMI-BAGYTPMASA-N 1 3 367.537 4.059 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000532507025 1102434795 /nfs/dbraw/zinc/43/47/95/1102434795.db2.gz LAKPLADTRYVWQC-FUHWJXTLSA-N 1 3 355.551 4.427 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@H](NC[C@@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000532507025 1102434796 /nfs/dbraw/zinc/43/47/96/1102434796.db2.gz LAKPLADTRYVWQC-FUHWJXTLSA-N 1 3 355.551 4.427 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121817781 1102477497 /nfs/dbraw/zinc/47/74/97/1102477497.db2.gz WFUQZTNGPKTYJD-QFIPXVFZSA-N 1 3 350.506 4.240 20 0 FIADHO C[C@@H]1C[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782527 1102564024 /nfs/dbraw/zinc/56/40/24/1102564024.db2.gz STNWOJGYJQFMSN-YKSBVNFPSA-N 1 3 374.532 4.357 20 0 FIADHO C[C@@H]1C[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782527 1102564035 /nfs/dbraw/zinc/56/40/35/1102564035.db2.gz STNWOJGYJQFMSN-YKSBVNFPSA-N 1 3 374.532 4.357 20 0 FIADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000122409635 1102574039 /nfs/dbraw/zinc/57/40/39/1102574039.db2.gz BWIUMEVWPXMYLL-PGRDOPGGSA-N 1 3 372.553 4.114 20 0 FIADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550885779 1102656582 /nfs/dbraw/zinc/65/65/82/1102656582.db2.gz JIWFAVASLGRRDV-KCZVDYSFSA-N 1 3 370.581 4.330 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000550886168 1102658873 /nfs/dbraw/zinc/65/88/73/1102658873.db2.gz DULXXGIHWOIAPA-QHCPKHFHSA-N 1 3 368.521 4.280 20 0 FIADHO c1nn(Cc2ccccc2)cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000537650402 1102691377 /nfs/dbraw/zinc/69/13/77/1102691377.db2.gz BXZNBHNGQJIRMT-UHFFFAOYSA-N 1 3 366.553 4.019 20 0 FIADHO Cc1nc2ccccc2nc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000550964208 1102731487 /nfs/dbraw/zinc/73/14/87/1102731487.db2.gz SWPDQIZUVIDJTA-UHFFFAOYSA-N 1 3 374.532 4.282 20 0 FIADHO Cc1nc2ccccc2nc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000550964208 1102731497 /nfs/dbraw/zinc/73/14/97/1102731497.db2.gz SWPDQIZUVIDJTA-UHFFFAOYSA-N 1 3 374.532 4.282 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@]1(C)CCCO1 ZINC000551030140 1102808871 /nfs/dbraw/zinc/80/88/71/1102808871.db2.gz XYCVWGVCRQWSGD-OXQOHEQNSA-N 1 3 350.934 4.099 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CNCc3cc(Cl)cs3)cc2)CC1 ZINC000551227202 1102983919 /nfs/dbraw/zinc/98/39/19/1102983919.db2.gz KZVBEEODILCZFA-UHFFFAOYSA-N 1 3 350.915 4.164 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265620 1103025478 /nfs/dbraw/zinc/02/54/78/1103025478.db2.gz WZSJKWBFFVXCFF-YTFSRNRJSA-N 1 3 368.565 4.084 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1O ZINC000459382718 1103105188 /nfs/dbraw/zinc/10/51/88/1103105188.db2.gz WXHIJUKBVBUZOO-GOSISDBHSA-N 1 3 368.521 4.313 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1O ZINC000459382718 1103105199 /nfs/dbraw/zinc/10/51/99/1103105199.db2.gz WXHIJUKBVBUZOO-GOSISDBHSA-N 1 3 368.521 4.313 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CCS2 ZINC000427542102 1103635984 /nfs/dbraw/zinc/63/59/84/1103635984.db2.gz VBSVYMCDFFWFOV-QWFCFKBJSA-N 1 3 362.583 4.319 20 0 FIADHO CCCCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000551790577 1103663894 /nfs/dbraw/zinc/66/38/94/1103663894.db2.gz CQJVYHWXZICHQU-OFAXGOBFSA-N 1 3 374.569 4.284 20 0 FIADHO CC(C)N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000519763476 1103834769 /nfs/dbraw/zinc/83/47/69/1103834769.db2.gz CWDJBRXEZLDXET-UHFFFAOYSA-N 1 3 351.288 4.158 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1O2 ZINC000538293224 1104109663 /nfs/dbraw/zinc/10/96/63/1104109663.db2.gz JDIURYJKZLMPLX-HXUWFJFHSA-N 1 3 372.459 4.085 20 0 FIADHO COc1ccccc1/C=C\CNCc1ccccc1C[NH+]1CCCCC1 ZINC000520210391 1104177205 /nfs/dbraw/zinc/17/72/05/1104177205.db2.gz LUYLQKOQQNQXOK-LCYFTJDESA-N 1 3 350.506 4.484 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000520228819 1104189571 /nfs/dbraw/zinc/18/95/71/1104189571.db2.gz LWORIQRRAZWKPQ-UHFFFAOYSA-N 1 3 368.912 4.218 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000520228819 1104189578 /nfs/dbraw/zinc/18/95/78/1104189578.db2.gz LWORIQRRAZWKPQ-UHFFFAOYSA-N 1 3 368.912 4.218 20 0 FIADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1)C(C)C ZINC000520367398 1104294280 /nfs/dbraw/zinc/29/42/80/1104294280.db2.gz UHLUMVMHXOBZJB-UHFFFAOYSA-N 1 3 373.585 4.253 20 0 FIADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cc1)C(C)C ZINC000520367398 1104294288 /nfs/dbraw/zinc/29/42/88/1104294288.db2.gz UHLUMVMHXOBZJB-UHFFFAOYSA-N 1 3 373.585 4.253 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404536 1104345056 /nfs/dbraw/zinc/34/50/56/1104345056.db2.gz SWRMFXUHNWBXTA-QFBILLFUSA-N 1 3 368.443 4.076 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404536 1104345068 /nfs/dbraw/zinc/34/50/68/1104345068.db2.gz SWRMFXUHNWBXTA-QFBILLFUSA-N 1 3 368.443 4.076 20 0 FIADHO O=C(c1ccccc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001168001914 1104955775 /nfs/dbraw/zinc/95/57/75/1104955775.db2.gz KLPQCTLWNPUONL-YOFSQIOKSA-N 1 3 370.512 4.126 20 0 FIADHO COc1cccc([C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168002132 1104969662 /nfs/dbraw/zinc/96/96/62/1104969662.db2.gz NARYMBSKLRNZMT-IZCSPVGOSA-N 1 3 354.538 4.280 20 0 FIADHO COc1cccc([C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168002132 1104969668 /nfs/dbraw/zinc/96/96/68/1104969668.db2.gz NARYMBSKLRNZMT-IZCSPVGOSA-N 1 3 354.538 4.280 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375576 1105062182 /nfs/dbraw/zinc/06/21/82/1105062182.db2.gz PYOHKYIQFNZOEA-KBPBESRZSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375576 1105062186 /nfs/dbraw/zinc/06/21/86/1105062186.db2.gz PYOHKYIQFNZOEA-KBPBESRZSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C[C@@H](C)O1 ZINC000579545948 1105075465 /nfs/dbraw/zinc/07/54/65/1105075465.db2.gz KJYMRRHKUYUDRM-YPBQMLHOSA-N 1 3 356.554 4.223 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000579545947 1105075601 /nfs/dbraw/zinc/07/56/01/1105075601.db2.gz KJYMRRHKUYUDRM-XSQFVWFVSA-N 1 3 356.554 4.223 20 0 FIADHO CCOc1cc2nccc(N3CCC([NH+]4CCCC4)CC3)c2cc1OCC ZINC000301509643 1107053762 /nfs/dbraw/zinc/05/37/62/1107053762.db2.gz IBDKYEXSZILMAG-UHFFFAOYSA-N 1 3 369.509 4.097 20 0 FIADHO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000530544687 1107127973 /nfs/dbraw/zinc/12/79/73/1107127973.db2.gz UQUPTBAOKNHDNC-KAGYGMCKSA-N 1 3 350.506 4.319 20 0 FIADHO COc1ccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655848 1108050028 /nfs/dbraw/zinc/05/00/28/1108050028.db2.gz BDLSWMLWDAVVOA-OAQYLSRUSA-N 1 3 368.521 4.190 20 0 FIADHO COc1ccc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655848 1108050047 /nfs/dbraw/zinc/05/00/47/1108050047.db2.gz BDLSWMLWDAVVOA-OAQYLSRUSA-N 1 3 368.521 4.190 20 0 FIADHO CCc1ccc(-c2ccc(C[NH2+]C3CCN(CCCOC)CC3)o2)cc1 ZINC000525289856 1109329071 /nfs/dbraw/zinc/32/90/71/1109329071.db2.gz YYSIDPIMIFUYRE-UHFFFAOYSA-N 1 3 356.510 4.100 20 0 FIADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(Br)cc1Cl ZINC000446938955 1109395375 /nfs/dbraw/zinc/39/53/75/1109395375.db2.gz YQIZHXZRLMUOFC-MRXNPFEDSA-N 1 3 357.723 4.405 20 0 FIADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1Cl ZINC000446938955 1109395379 /nfs/dbraw/zinc/39/53/79/1109395379.db2.gz YQIZHXZRLMUOFC-MRXNPFEDSA-N 1 3 357.723 4.405 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000525490153 1109400750 /nfs/dbraw/zinc/40/07/50/1109400750.db2.gz GXNCYBSPTXDQNF-GOSISDBHSA-N 1 3 365.521 4.375 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000525490153 1109400752 /nfs/dbraw/zinc/40/07/52/1109400752.db2.gz GXNCYBSPTXDQNF-GOSISDBHSA-N 1 3 365.521 4.375 20 0 FIADHO C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525781291 1109516526 /nfs/dbraw/zinc/51/65/26/1109516526.db2.gz MDLZCBPUXLKESB-IBGZPJMESA-N 1 3 360.448 4.242 20 0 FIADHO C[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525781291 1109516530 /nfs/dbraw/zinc/51/65/30/1109516530.db2.gz MDLZCBPUXLKESB-IBGZPJMESA-N 1 3 360.448 4.242 20 0 FIADHO COCCC[NH+]1CCC(N[C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447538260 1109571679 /nfs/dbraw/zinc/57/16/79/1109571679.db2.gz BFRAGCCVUFDADE-QHCPKHFHSA-N 1 3 370.512 4.200 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000447587044 1109588066 /nfs/dbraw/zinc/58/80/66/1109588066.db2.gz PYENBPMAUKTDRD-LNLFQRSKSA-N 1 3 370.493 4.018 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587044 1109588071 /nfs/dbraw/zinc/58/80/71/1109588071.db2.gz PYENBPMAUKTDRD-LNLFQRSKSA-N 1 3 370.493 4.018 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000508605156 1109605560 /nfs/dbraw/zinc/60/55/60/1109605560.db2.gz RXVRMVURJYRYFV-CEXWTWQISA-N 1 3 357.542 4.118 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000527656373 1109803451 /nfs/dbraw/zinc/80/34/51/1109803451.db2.gz DHLITRBCOCAWKT-UHFFFAOYSA-N 1 3 364.320 4.390 20 0 FIADHO Cc1ccccc1-c1ccccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000449043899 1109966396 /nfs/dbraw/zinc/96/63/96/1109966396.db2.gz AJEDRZVTLKMUHV-NKKJXINNSA-N 1 3 364.533 4.346 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@H](C)C1 ZINC000449139405 1109983872 /nfs/dbraw/zinc/98/38/72/1109983872.db2.gz KYPIRVMERINKIL-GCJKJVERSA-N 1 3 370.537 4.075 20 0 FIADHO Cc1noc(C)c1[C@@H](C)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449186260 1109994599 /nfs/dbraw/zinc/99/45/99/1109994599.db2.gz JCUWQISXVOUBRM-IRXDYDNUSA-N 1 3 355.526 4.080 20 0 FIADHO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000449298257 1110020542 /nfs/dbraw/zinc/02/05/42/1110020542.db2.gz JBPMSWBUUHUWOM-QWQCLYJRSA-N 1 3 367.306 4.182 20 0 FIADHO Cc1noc(C)c1CN1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413877 1110056027 /nfs/dbraw/zinc/05/60/27/1110056027.db2.gz KMEOUSCMYXOVCF-JOCHJYFZSA-N 1 3 367.537 4.414 20 0 FIADHO CC(C)c1ccc2c(c1)[C@H](NCc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000539064980 1111408596 /nfs/dbraw/zinc/40/85/96/1111408596.db2.gz OEAQQYBAUQYWOU-JOCHJYFZSA-N 1 3 367.537 4.313 20 0 FIADHO C[NH+]1CCC2(CC1)C[C@H](NCCOC1CCCCCC1)c1ccccc1O2 ZINC000539396074 1111541732 /nfs/dbraw/zinc/54/17/32/1111541732.db2.gz SJPRQYSKYPUGLL-NRFANRHFSA-N 1 3 372.553 4.304 20 0 FIADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000552047406 1111557015 /nfs/dbraw/zinc/55/70/15/1111557015.db2.gz LSHLZZNXLVEDNJ-NFBKMPQASA-N 1 3 367.537 4.084 20 0 FIADHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)c(C)c1OC ZINC000552048311 1111557743 /nfs/dbraw/zinc/55/77/43/1111557743.db2.gz OHYOVEYQXXKSNZ-QGZVFWFLSA-N 1 3 374.569 4.187 20 0 FIADHO CC[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479356173 1111997736 /nfs/dbraw/zinc/99/77/36/1111997736.db2.gz DVNABYOSTFMRDD-KRWDZBQOSA-N 1 3 351.332 4.245 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479338328 1111999248 /nfs/dbraw/zinc/99/92/48/1111999248.db2.gz VUWSXEBYVIQHJT-JOCHJYFZSA-N 1 3 360.505 4.101 20 0 FIADHO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000479460997 1112032001 /nfs/dbraw/zinc/03/20/01/1112032001.db2.gz AGNNTGHITLJLQP-RXVVDRJESA-N 1 3 354.469 4.151 20 0 FIADHO COc1c(Br)cccc1CNCCCC[NH+]1CCC(C)CC1 ZINC000479562134 1112073147 /nfs/dbraw/zinc/07/31/47/1112073147.db2.gz XMTGSUPYWHQEJO-UHFFFAOYSA-N 1 3 369.347 4.059 20 0 FIADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000479764508 1112135267 /nfs/dbraw/zinc/13/52/67/1112135267.db2.gz GWMLICSZNQWQBS-ZWKOTPCHSA-N 1 3 357.546 4.045 20 0 FIADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000554087067 1112198091 /nfs/dbraw/zinc/19/80/91/1112198091.db2.gz UJDROACQUPLQJW-BHDDXSALSA-N 1 3 358.570 4.330 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000480148048 1112302529 /nfs/dbraw/zinc/30/25/29/1112302529.db2.gz PQIWXWQFOQNZJG-QPPBQGQZSA-N 1 3 365.565 4.009 20 0 FIADHO COc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000480277623 1112370663 /nfs/dbraw/zinc/37/06/63/1112370663.db2.gz KXEPWGYQCRODMM-GOSISDBHSA-N 1 3 368.521 4.111 20 0 FIADHO COc1cc(C)c([C@@H](C)NCCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000480277623 1112370666 /nfs/dbraw/zinc/37/06/66/1112370666.db2.gz KXEPWGYQCRODMM-GOSISDBHSA-N 1 3 368.521 4.111 20 0 FIADHO c1c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000030907139 1112464001 /nfs/dbraw/zinc/46/40/01/1112464001.db2.gz AGNSIILHOTZOEA-LJQANCHMSA-N 1 3 372.516 4.113 20 0 FIADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccccc1 ZINC000480736897 1112570049 /nfs/dbraw/zinc/57/00/49/1112570049.db2.gz HWRHJOQGTBCJNX-HSZRJFAPSA-N 1 3 351.538 4.065 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCc3c2cccc3OC)cc1 ZINC000480730240 1112575216 /nfs/dbraw/zinc/57/52/16/1112575216.db2.gz ONUOQMDCBMSACT-JOCHJYFZSA-N 1 3 368.521 4.193 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000480832547 1112631985 /nfs/dbraw/zinc/63/19/85/1112631985.db2.gz KDTYQFKZPXUHBQ-YYDVJCTNSA-N 1 3 370.512 4.394 20 0 FIADHO CC[N@@H+]1CC[C@@H](CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308040 1112882014 /nfs/dbraw/zinc/88/20/14/1112882014.db2.gz AFOPMMRLTRKIRB-PGRDOPGGSA-N 1 3 356.485 4.050 20 0 FIADHO CC[N@H+]1CC[C@@H](CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308040 1112882022 /nfs/dbraw/zinc/88/20/22/1112882022.db2.gz AFOPMMRLTRKIRB-PGRDOPGGSA-N 1 3 356.485 4.050 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308040 1112882027 /nfs/dbraw/zinc/88/20/27/1112882027.db2.gz AFOPMMRLTRKIRB-PGRDOPGGSA-N 1 3 356.485 4.050 20 0 FIADHO Clc1ccc2c(c1)[C@H](NCC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000482540779 1113287878 /nfs/dbraw/zinc/28/78/78/1113287878.db2.gz UWOUWIMKQSBMCD-HXUWFJFHSA-N 1 3 362.945 4.342 20 0 FIADHO CCOc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000486925134 1113677350 /nfs/dbraw/zinc/67/73/50/1113677350.db2.gz LBCWONLLSVMSGY-KRWDZBQOSA-N 1 3 362.514 4.288 20 0 FIADHO CCOc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000486925134 1113677353 /nfs/dbraw/zinc/67/73/53/1113677353.db2.gz LBCWONLLSVMSGY-KRWDZBQOSA-N 1 3 362.514 4.288 20 0 FIADHO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCCCC2)cc1 ZINC000486980960 1113690244 /nfs/dbraw/zinc/69/02/44/1113690244.db2.gz PVOTWZPVODWEGU-UHFFFAOYSA-N 1 3 366.431 4.061 20 0 FIADHO Fc1ccc(C2(NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000591723959 1115124550 /nfs/dbraw/zinc/12/45/50/1115124550.db2.gz QSCLTWAJGXCSEW-UHFFFAOYSA-N 1 3 354.469 4.079 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509440 1116313890 /nfs/dbraw/zinc/31/38/90/1116313890.db2.gz SHXQKIBYBULFRR-MEDUHNTESA-N 1 3 357.723 4.021 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000539898424 1117740225 /nfs/dbraw/zinc/74/02/25/1117740225.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 1 3 369.597 4.093 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000539898424 1117740228 /nfs/dbraw/zinc/74/02/28/1117740228.db2.gz QTBJBCQNBOVJRK-FYYLOGMGSA-N 1 3 369.597 4.093 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000462848256 1117818765 /nfs/dbraw/zinc/81/87/65/1117818765.db2.gz OMYZPCTXEUQOQE-QRVBRYPASA-N 1 3 362.558 4.404 20 0 FIADHO CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175337 1117916078 /nfs/dbraw/zinc/91/60/78/1117916078.db2.gz UFNZYOQEANTBRL-HTAPYJJXSA-N 1 3 368.521 4.364 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074796 1117959008 /nfs/dbraw/zinc/95/90/08/1117959008.db2.gz IZJFYACBMKLKRG-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074796 1117959011 /nfs/dbraw/zinc/95/90/11/1117959011.db2.gz IZJFYACBMKLKRG-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H](COc1ccc(F)cc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463077533 1117959874 /nfs/dbraw/zinc/95/98/74/1117959874.db2.gz JMQJROKVFSIEFN-KRWDZBQOSA-N 1 3 374.475 4.029 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259518 1117962000 /nfs/dbraw/zinc/96/20/00/1117962000.db2.gz WIRZALDCGGUYHY-CVEARBPZSA-N 1 3 362.949 4.389 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259518 1117962003 /nfs/dbraw/zinc/96/20/03/1117962003.db2.gz WIRZALDCGGUYHY-CVEARBPZSA-N 1 3 362.949 4.389 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000173300641 1119031061 /nfs/dbraw/zinc/03/10/61/1119031061.db2.gz FAZOLHJRQDOBOQ-QGZVFWFLSA-N 1 3 354.494 4.150 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817345 1119390648 /nfs/dbraw/zinc/39/06/48/1119390648.db2.gz PSSUEVXMTNUIIS-AEFFLSMTSA-N 1 3 360.448 4.461 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c2ccccc2)cc1 ZINC000494074554 1119537484 /nfs/dbraw/zinc/53/74/84/1119537484.db2.gz GNYYLKNNQKVUFR-WXFUMESZSA-N 1 3 364.533 4.052 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190094 1119964067 /nfs/dbraw/zinc/96/40/67/1119964067.db2.gz XSPFLSJGHYMVPU-NQIIRXRSSA-N 1 3 372.582 4.160 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190094 1119964069 /nfs/dbraw/zinc/96/40/69/1119964069.db2.gz XSPFLSJGHYMVPU-NQIIRXRSSA-N 1 3 372.582 4.160 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3ccc(Br)cc32)c1 ZINC000193972052 1120222677 /nfs/dbraw/zinc/22/26/77/1120222677.db2.gz UWJZBIIUMIMHKY-LJQANCHMSA-N 1 3 359.311 4.288 20 0 FIADHO C[N@H+](CCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882554 1120356224 /nfs/dbraw/zinc/35/62/24/1120356224.db2.gz ZVHNQTKTABTBJB-OFNKIYASSA-N 1 3 370.512 4.405 20 0 FIADHO C[N@@H+](CCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882554 1120356228 /nfs/dbraw/zinc/35/62/28/1120356228.db2.gz ZVHNQTKTABTBJB-OFNKIYASSA-N 1 3 370.512 4.405 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495380983 1120768912 /nfs/dbraw/zinc/76/89/12/1120768912.db2.gz TXVRJVQADCGNPC-LZNRXBQRSA-N 1 3 350.506 4.183 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380983 1120768914 /nfs/dbraw/zinc/76/89/14/1120768914.db2.gz TXVRJVQADCGNPC-LZNRXBQRSA-N 1 3 350.506 4.183 20 0 FIADHO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495415299 1120793174 /nfs/dbraw/zinc/79/31/74/1120793174.db2.gz OURXFFLZHVTRKJ-SVFBPWRDSA-N 1 3 351.538 4.314 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671744370 1121657855 /nfs/dbraw/zinc/65/78/55/1121657855.db2.gz XREYRTZERAFFRV-OAHLLOKOSA-N 1 3 353.466 4.224 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671744370 1121657866 /nfs/dbraw/zinc/65/78/66/1121657866.db2.gz XREYRTZERAFFRV-OAHLLOKOSA-N 1 3 353.466 4.224 20 0 FIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000063917778 1121728138 /nfs/dbraw/zinc/72/81/38/1121728138.db2.gz NPDJVTBTIAUEJG-OAQYLSRUSA-N 1 3 368.521 4.096 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000125078000 1121745054 /nfs/dbraw/zinc/74/50/54/1121745054.db2.gz UWYIXZHYWQLZKZ-SBUREZEXSA-N 1 3 350.506 4.498 20 0 FIADHO COc1ccc2c(c1)[C@H](NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000125077895 1121745205 /nfs/dbraw/zinc/74/52/05/1121745205.db2.gz UWYIXZHYWQLZKZ-UZUQRXQVSA-N 1 3 350.506 4.498 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000671761460 1121791057 /nfs/dbraw/zinc/79/10/57/1121791057.db2.gz VDZKCPJRRYHFBK-MLCQCVOFSA-N 1 3 368.565 4.084 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126802242 1121998484 /nfs/dbraw/zinc/99/84/84/1121998484.db2.gz MIDPGQJYHZUYSP-JKSUJKDBSA-N 1 3 362.514 4.459 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126802242 1121998485 /nfs/dbraw/zinc/99/84/85/1121998485.db2.gz MIDPGQJYHZUYSP-JKSUJKDBSA-N 1 3 362.514 4.459 20 0 FIADHO CC1CC[NH+](C2CCC(N[C@H](c3ccccc3)c3cncnc3)CC2)CC1 ZINC000542704441 1122299390 /nfs/dbraw/zinc/29/93/90/1122299390.db2.gz JCFKDYNQNVEVSO-XPPIMPSXSA-N 1 3 364.537 4.199 20 0 FIADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556228615 1122745242 /nfs/dbraw/zinc/74/52/42/1122745242.db2.gz ASYFKCKQUKBQFH-HJNYFJLDSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234334 1122751412 /nfs/dbraw/zinc/75/14/12/1122751412.db2.gz WRGZNKUTMNQGIG-YADHBBJMSA-N 1 3 368.565 4.228 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]2CCC[C@H]21 ZINC000556869713 1123150682 /nfs/dbraw/zinc/15/06/82/1123150682.db2.gz ANBHXMBKESMCKQ-QNWVGRARSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]2CCC[C@H]21 ZINC000556869713 1123150686 /nfs/dbraw/zinc/15/06/86/1123150686.db2.gz ANBHXMBKESMCKQ-QNWVGRARSA-N 1 3 374.532 4.047 20 0 FIADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556871796 1123153215 /nfs/dbraw/zinc/15/32/15/1123153215.db2.gz MXXHRQKNRHDLBI-CWKRKGSWSA-N 1 3 358.570 4.066 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000132467382 1123263498 /nfs/dbraw/zinc/26/34/98/1123263498.db2.gz XHQJRYKMCVIBGH-GOSISDBHSA-N 1 3 363.427 4.329 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232161 1123340915 /nfs/dbraw/zinc/34/09/15/1123340915.db2.gz GOWJZYVXIDNGMG-PSWRPDDJSA-N 1 3 350.506 4.239 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232161 1123340920 /nfs/dbraw/zinc/34/09/20/1123340920.db2.gz GOWJZYVXIDNGMG-PSWRPDDJSA-N 1 3 350.506 4.239 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250183 1123358360 /nfs/dbraw/zinc/35/83/60/1123358360.db2.gz LTXODGDYFUCAJX-HLRQEUIKSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250183 1123358362 /nfs/dbraw/zinc/35/83/62/1123358362.db2.gz LTXODGDYFUCAJX-HLRQEUIKSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250179 1123358403 /nfs/dbraw/zinc/35/84/03/1123358403.db2.gz LTXODGDYFUCAJX-AGOPTVSRSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250179 1123358406 /nfs/dbraw/zinc/35/84/06/1123358406.db2.gz LTXODGDYFUCAJX-AGOPTVSRSA-N 1 3 368.496 4.378 20 0 FIADHO CCc1cnc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000245642233 1124159504 /nfs/dbraw/zinc/15/95/04/1124159504.db2.gz AYAZYWJMWITUIC-REPLKXPHSA-N 1 3 355.551 4.033 20 0 FIADHO CCc1cnc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000245642233 1124159509 /nfs/dbraw/zinc/15/95/09/1124159509.db2.gz AYAZYWJMWITUIC-REPLKXPHSA-N 1 3 355.551 4.033 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000246895528 1124572323 /nfs/dbraw/zinc/57/23/23/1124572323.db2.gz FPHNUWGZWQTXSC-KFKAGJAMSA-N 1 3 371.491 4.161 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000247943613 1124732557 /nfs/dbraw/zinc/73/25/57/1124732557.db2.gz DGULPJOWVQFVNU-MDZRGWNJSA-N 1 3 368.949 4.136 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000248071247 1124741539 /nfs/dbraw/zinc/74/15/39/1124741539.db2.gz MOMKKABMBAPTSE-YJBOKZPZSA-N 1 3 371.550 4.128 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000248071247 1124741543 /nfs/dbraw/zinc/74/15/43/1124741543.db2.gz MOMKKABMBAPTSE-YJBOKZPZSA-N 1 3 371.550 4.128 20 0 FIADHO CC1(C)Cc2occc2[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248438890 1124769636 /nfs/dbraw/zinc/76/96/36/1124769636.db2.gz ICXIYWTURDPWRT-PZJWPPBQSA-N 1 3 368.521 4.040 20 0 FIADHO CC1(C)Cc2occc2[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248438890 1124769641 /nfs/dbraw/zinc/76/96/41/1124769641.db2.gz ICXIYWTURDPWRT-PZJWPPBQSA-N 1 3 368.521 4.040 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248455235 1124772059 /nfs/dbraw/zinc/77/20/59/1124772059.db2.gz RJMUXLXBZKWONB-FCHUYYIVSA-N 1 3 356.485 4.023 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248455235 1124772069 /nfs/dbraw/zinc/77/20/69/1124772069.db2.gz RJMUXLXBZKWONB-FCHUYYIVSA-N 1 3 356.485 4.023 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000090525582 1125001839 /nfs/dbraw/zinc/00/18/39/1125001839.db2.gz HHWHUUWGPOANML-JVPBZIDWSA-N 1 3 370.459 4.124 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc1OC ZINC000182285320 1125322723 /nfs/dbraw/zinc/32/27/23/1125322723.db2.gz YKPZUTVBPOAWMG-HRAATJIYSA-N 1 3 374.500 4.060 20 0 FIADHO C[C@H]([NH3+])C1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000521435301 568014624 /nfs/dbraw/zinc/01/46/24/568014624.db2.gz ZNYSVGZBOCSQEW-IBGZPJMESA-N 1 3 374.532 4.158 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000604418012 568275974 /nfs/dbraw/zinc/27/59/74/568275974.db2.gz CDABRZRYPBVSCC-WIYYLYMNSA-N 1 3 356.510 4.173 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc([C@H](C)O)cc2)ccc1OC ZINC000182574671 1125572827 /nfs/dbraw/zinc/57/28/27/1125572827.db2.gz KSYDHQWNRWIWNX-ROUUACIJSA-N 1 3 370.537 4.441 20 0 FIADHO CCOc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000152751101 1125643541 /nfs/dbraw/zinc/64/35/41/1125643541.db2.gz AJZDSHXRWOFNLB-MRXNPFEDSA-N 1 3 360.473 4.016 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1CN1CCCCC1 ZINC000183013479 1125721359 /nfs/dbraw/zinc/72/13/59/1125721359.db2.gz QZXSYWHQYYURIL-VHHKXPHXSA-N 1 3 372.553 4.145 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)ccc1OC ZINC000183093604 1125750197 /nfs/dbraw/zinc/75/01/97/1125750197.db2.gz WXNKWBOJXIGAMH-CRAIPNDOSA-N 1 3 368.612 4.036 20 0 FIADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000154846414 1080443223 /nfs/dbraw/zinc/44/32/23/1080443223.db2.gz MHYPMSRSUFSOSI-QGZVFWFLSA-N 1 3 353.510 4.336 20 0 FIADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000154846414 1080443226 /nfs/dbraw/zinc/44/32/26/1080443226.db2.gz MHYPMSRSUFSOSI-QGZVFWFLSA-N 1 3 353.510 4.336 20 0 FIADHO c1ccc(COc2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)cc1 ZINC000236719006 1080897575 /nfs/dbraw/zinc/89/75/75/1080897575.db2.gz VVLBASODALNLDK-UHFFFAOYSA-N 1 3 350.506 4.230 20 0 FIADHO CCOc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000312519850 1080965558 /nfs/dbraw/zinc/96/55/58/1080965558.db2.gz OIRGYUJSQYDGPM-NQIIRXRSSA-N 1 3 368.521 4.094 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC4(CCCC4)CC3)cc2)CC1 ZINC001648814098 1081215985 /nfs/dbraw/zinc/21/59/85/1081215985.db2.gz FQCRBZMUCKCVHD-UHFFFAOYSA-N 1 3 369.597 4.417 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2cc3ccccc3n2C)cc1 ZINC001648814444 1081219314 /nfs/dbraw/zinc/21/93/14/1081219314.db2.gz MNXCRBNWPGUODQ-UHFFFAOYSA-N 1 3 365.521 4.189 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC(C)(C)CC3)cc2)CC1 ZINC001648815009 1081227763 /nfs/dbraw/zinc/22/77/63/1081227763.db2.gz YDWVDZNOUBMNIP-JOCHJYFZSA-N 1 3 357.586 4.273 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000655820807 1081231589 /nfs/dbraw/zinc/23/15/89/1081231589.db2.gz LYBTVNYICCQRNX-IRXDYDNUSA-N 1 3 368.443 4.223 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000655820807 1081231590 /nfs/dbraw/zinc/23/15/90/1081231590.db2.gz LYBTVNYICCQRNX-IRXDYDNUSA-N 1 3 368.443 4.223 20 0 FIADHO Cc1cc(C)c(NC(=O)CCCN(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000137691507 1081275313 /nfs/dbraw/zinc/27/53/13/1081275313.db2.gz XQZCUJGUNHQPLJ-HXUWFJFHSA-N 1 3 359.558 4.137 20 0 FIADHO Cc1cc(C)c(NC(=O)CCCN(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000137691507 1081275320 /nfs/dbraw/zinc/27/53/20/1081275320.db2.gz XQZCUJGUNHQPLJ-HXUWFJFHSA-N 1 3 359.558 4.137 20 0 FIADHO CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000537956461 1081504444 /nfs/dbraw/zinc/50/44/44/1081504444.db2.gz RQIRBZVHWMPONH-UFYCRDLUSA-N 1 3 350.934 4.149 20 0 FIADHO FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCCCO3)C2)C1 ZINC001279475224 1082256111 /nfs/dbraw/zinc/25/61/11/1082256111.db2.gz XUVPNVGURDMGSA-ZWKOTPCHSA-N 1 3 362.480 4.076 20 0 FIADHO FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCCCO3)C2)C1 ZINC001279475224 1082256115 /nfs/dbraw/zinc/25/61/15/1082256115.db2.gz XUVPNVGURDMGSA-ZWKOTPCHSA-N 1 3 362.480 4.076 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N1CCCCCC1 ZINC000510389113 1082470788 /nfs/dbraw/zinc/47/07/88/1082470788.db2.gz NUKMAMBTSNPFIZ-OALUTQOASA-N 1 3 357.542 4.122 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N1CCCCCC1 ZINC000510389113 1082470793 /nfs/dbraw/zinc/47/07/93/1082470793.db2.gz NUKMAMBTSNPFIZ-OALUTQOASA-N 1 3 357.542 4.122 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N1CCCCCC1 ZINC000510389887 1082477121 /nfs/dbraw/zinc/47/71/21/1082477121.db2.gz UHKABTCRXCCKQB-OALUTQOASA-N 1 3 357.542 4.264 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N1CCCCCC1 ZINC000510389887 1082477128 /nfs/dbraw/zinc/47/71/28/1082477128.db2.gz UHKABTCRXCCKQB-OALUTQOASA-N 1 3 357.542 4.264 20 0 FIADHO CSC[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(C(F)(F)F)cc1 ZINC000581370551 1082499604 /nfs/dbraw/zinc/49/96/04/1082499604.db2.gz AVRMFDMPOYNTGF-KRWDZBQOSA-N 1 3 354.441 4.358 20 0 FIADHO C[C@@H](O)CN(Cc1ccccc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167472764 1082691321 /nfs/dbraw/zinc/69/13/21/1082691321.db2.gz CQFSMJQXTVXWGE-HXUWFJFHSA-N 1 3 352.522 4.056 20 0 FIADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167611 1082704545 /nfs/dbraw/zinc/70/45/45/1082704545.db2.gz MFKWNLMDOZINFY-WOJBJXKFSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167611 1082704552 /nfs/dbraw/zinc/70/45/52/1082704552.db2.gz MFKWNLMDOZINFY-WOJBJXKFSA-N 1 3 369.578 4.138 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CNCc1cn(C)nc1-c1ccc(C)o1 ZINC000647168990 1082721676 /nfs/dbraw/zinc/72/16/76/1082721676.db2.gz UQGNCLDYJANHIR-UHFFFAOYSA-N 1 3 366.509 4.120 20 0 FIADHO Clc1ccc2cccnc2c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000684410228 1082856385 /nfs/dbraw/zinc/85/63/85/1082856385.db2.gz AZXMQIDWPMMEID-GOSISDBHSA-N 1 3 365.908 4.500 20 0 FIADHO CC[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884024 1082971196 /nfs/dbraw/zinc/97/11/96/1082971196.db2.gz ODGLYAAIEWYUPT-NHCUHLMSSA-N 1 3 366.553 4.275 20 0 FIADHO CC[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884024 1082971197 /nfs/dbraw/zinc/97/11/97/1082971197.db2.gz ODGLYAAIEWYUPT-NHCUHLMSSA-N 1 3 366.553 4.275 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510754585 1083291374 /nfs/dbraw/zinc/29/13/74/1083291374.db2.gz ULFYJZKXKRRMJY-KBXCAEBGSA-N 1 3 351.332 4.146 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320439 1083408457 /nfs/dbraw/zinc/40/84/57/1083408457.db2.gz YDENUTMZUMBHEX-RXVVDRJESA-N 1 3 350.506 4.345 20 0 FIADHO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483457 1083467761 /nfs/dbraw/zinc/46/77/61/1083467761.db2.gz NWTPQWMMTMQUPL-MJGOQNOKSA-N 1 3 371.594 4.483 20 0 FIADHO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483458 1083468503 /nfs/dbraw/zinc/46/85/03/1083468503.db2.gz NWTPQWMMTMQUPL-PKOBYXMFSA-N 1 3 371.594 4.483 20 0 FIADHO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548483510 1083468563 /nfs/dbraw/zinc/46/85/63/1083468563.db2.gz ATFUGWZMQXYKNF-RXVVDRJESA-N 1 3 365.521 4.035 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000510973762 1083543152 /nfs/dbraw/zinc/54/31/52/1083543152.db2.gz AUDUBFGAENQOQK-VFNWGFHPSA-N 1 3 372.484 4.113 20 0 FIADHO c1[nH]nc2c1cccc2C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000535808495 1083693804 /nfs/dbraw/zinc/69/38/04/1083693804.db2.gz IKYBXVNTYPRJTK-IRLDBZIGSA-N 1 3 360.505 4.049 20 0 FIADHO c1[nH]nc2c1cccc2C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000535808495 1083693807 /nfs/dbraw/zinc/69/38/07/1083693807.db2.gz IKYBXVNTYPRJTK-IRLDBZIGSA-N 1 3 360.505 4.049 20 0 FIADHO CCc1ncc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000414277147 1084958106 /nfs/dbraw/zinc/95/81/06/1084958106.db2.gz VECAEEGDDHRHIG-UHFFFAOYSA-N 1 3 360.505 4.057 20 0 FIADHO C[NH+](C)CCC1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000511507458 1084979467 /nfs/dbraw/zinc/97/94/67/1084979467.db2.gz UVNSQLHTPZZYAL-UHFFFAOYSA-N 1 3 369.336 4.433 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000472584092 1085049775 /nfs/dbraw/zinc/04/97/75/1085049775.db2.gz GOVNTAOTMZVGSZ-XIQMRYHBSA-N 1 3 369.597 4.361 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000472584092 1085049782 /nfs/dbraw/zinc/04/97/82/1085049782.db2.gz GOVNTAOTMZVGSZ-XIQMRYHBSA-N 1 3 369.597 4.361 20 0 FIADHO Cc1cccc2[nH]c(CNC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cc21 ZINC000657452778 1085105096 /nfs/dbraw/zinc/10/50/96/1085105096.db2.gz JQPPGGJQPHCXHG-UHFFFAOYSA-N 1 3 365.443 4.371 20 0 FIADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000511188366 1085521153 /nfs/dbraw/zinc/52/11/53/1085521153.db2.gz OPGHDVHEPCUSMT-UHFFFAOYSA-N 1 3 353.510 4.232 20 0 FIADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000511188366 1085521161 /nfs/dbraw/zinc/52/11/61/1085521161.db2.gz OPGHDVHEPCUSMT-UHFFFAOYSA-N 1 3 353.510 4.232 20 0 FIADHO FC(F)(F)c1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612282 1085687591 /nfs/dbraw/zinc/68/75/91/1085687591.db2.gz LOQUYQWYGFDZFQ-UHFFFAOYSA-N 1 3 363.427 4.102 20 0 FIADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613834 1085699305 /nfs/dbraw/zinc/69/93/05/1085699305.db2.gz SLNIOOQVXKYVAX-BJKOFHAPSA-N 1 3 363.549 4.295 20 0 FIADHO COc1ccc(Oc2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090846584 1085897940 /nfs/dbraw/zinc/89/79/40/1085897940.db2.gz BUPCDTQZWGNQOS-VQTJNVASSA-N 1 3 366.505 4.246 20 0 FIADHO COc1ccc(Oc2ccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090846584 1085897955 /nfs/dbraw/zinc/89/79/55/1085897955.db2.gz BUPCDTQZWGNQOS-VQTJNVASSA-N 1 3 366.505 4.246 20 0 FIADHO C[NH+]1CCC2(CC1)C[C@@H](NCC(C)(C)C(F)(F)F)c1ccccc1O2 ZINC000583476394 1086331398 /nfs/dbraw/zinc/33/13/98/1086331398.db2.gz PQCKCMJZCKCFBD-OAHLLOKOSA-N 1 3 356.432 4.153 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccccc1O2 ZINC000583476394 1086331407 /nfs/dbraw/zinc/33/14/07/1086331407.db2.gz PQCKCMJZCKCFBD-OAHLLOKOSA-N 1 3 356.432 4.153 20 0 FIADHO Clc1cccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294056 1086398960 /nfs/dbraw/zinc/39/89/60/1086398960.db2.gz AMSFPTGBOGBQFN-KRWDZBQOSA-N 1 3 359.901 4.207 20 0 FIADHO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297820 1086401258 /nfs/dbraw/zinc/40/12/58/1086401258.db2.gz SGXWCTUGXKNSKY-QUCCMNQESA-N 1 3 371.569 4.157 20 0 FIADHO COCc1cc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC ZINC000162927346 1086479159 /nfs/dbraw/zinc/47/91/59/1086479159.db2.gz ZIWVTHRXRKPJPN-SFHVURJKSA-N 1 3 368.521 4.288 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432430011 1086757818 /nfs/dbraw/zinc/75/78/18/1086757818.db2.gz RJRVIGFAGMOSGL-ZWKOTPCHSA-N 1 3 350.572 4.339 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432430011 1086757821 /nfs/dbraw/zinc/75/78/21/1086757821.db2.gz RJRVIGFAGMOSGL-ZWKOTPCHSA-N 1 3 350.572 4.339 20 0 FIADHO CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000583660780 1086903083 /nfs/dbraw/zinc/90/30/83/1086903083.db2.gz MDMYYOSXXNQVBZ-WWPVKYPJSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660780 1086903088 /nfs/dbraw/zinc/90/30/88/1086903088.db2.gz MDMYYOSXXNQVBZ-WWPVKYPJSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660780 1086903092 /nfs/dbraw/zinc/90/30/92/1086903092.db2.gz MDMYYOSXXNQVBZ-WWPVKYPJSA-N 1 3 352.522 4.264 20 0 FIADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000132840732 1087106365 /nfs/dbraw/zinc/10/63/65/1087106365.db2.gz CFOYRPIMRGLBEO-ZIAGYGMSSA-N 1 3 357.325 4.145 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000091285067 1087426569 /nfs/dbraw/zinc/42/65/69/1087426569.db2.gz JSILWYYUBRJTBL-LJQANCHMSA-N 1 3 371.491 4.020 20 0 FIADHO CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470127 1087578286 /nfs/dbraw/zinc/57/82/86/1087578286.db2.gz ZEYLIQHGSNNQOK-QFIPXVFZSA-N 1 3 353.510 4.139 20 0 FIADHO Cc1ccc([C@@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CCCC2)o1 ZINC000658141962 1087734258 /nfs/dbraw/zinc/73/42/58/1087734258.db2.gz YGRHUUSMBIZBQK-GMAHTHKFSA-N 1 3 368.521 4.176 20 0 FIADHO Cc1ccc([C@@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCCC2)o1 ZINC000658141962 1087734266 /nfs/dbraw/zinc/73/42/66/1087734266.db2.gz YGRHUUSMBIZBQK-GMAHTHKFSA-N 1 3 368.521 4.176 20 0 FIADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137321 1087742129 /nfs/dbraw/zinc/74/21/29/1087742129.db2.gz GLFMTADMPPNYJJ-SJORKVTESA-N 1 3 364.942 4.209 20 0 FIADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137321 1087742139 /nfs/dbraw/zinc/74/21/39/1087742139.db2.gz GLFMTADMPPNYJJ-SJORKVTESA-N 1 3 364.942 4.209 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1nccc2ccccc21 ZINC000658164874 1087760769 /nfs/dbraw/zinc/76/07/69/1087760769.db2.gz GDNHNTDIPRXPOF-SFHVURJKSA-N 1 3 360.505 4.193 20 0 FIADHO Cc1cccc(CC[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658166842 1087761752 /nfs/dbraw/zinc/76/17/52/1087761752.db2.gz PZVKALCQWSMXOH-HXUWFJFHSA-N 1 3 351.538 4.213 20 0 FIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168446 1087765118 /nfs/dbraw/zinc/76/51/18/1087765118.db2.gz XFDNBRYRORZESS-RTBURBONSA-N 1 3 367.537 4.084 20 0 FIADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccccc3Cl)cs1)CC[NH2+]CC2 ZINC000424289666 1087898924 /nfs/dbraw/zinc/89/89/24/1087898924.db2.gz MGIFNTTVDXABLZ-CQSZACIVSA-N 1 3 361.942 4.428 20 0 FIADHO c1csc([C@@H](Cc2ccncc2)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000424325169 1087921828 /nfs/dbraw/zinc/92/18/28/1087921828.db2.gz XFEDKQCHUZCAST-HXUWFJFHSA-N 1 3 355.551 4.424 20 0 FIADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343564 1087953216 /nfs/dbraw/zinc/95/32/16/1087953216.db2.gz FTIAOXXFZRAASJ-ZQGJOIPISA-N 1 3 356.554 4.082 20 0 FIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000504896670 1087968820 /nfs/dbraw/zinc/96/88/20/1087968820.db2.gz ZDYQTFLXIBOYHO-XXBNENTESA-N 1 3 363.549 4.081 20 0 FIADHO COc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647543579 1088029623 /nfs/dbraw/zinc/02/96/23/1088029623.db2.gz PTJBAYJIPNWBHL-ROUUACIJSA-N 1 3 371.550 4.030 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000163568689 1088292048 /nfs/dbraw/zinc/29/20/48/1088292048.db2.gz KINHUXCSSAWVDI-NSYGIPOTSA-N 1 3 358.551 4.117 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000659284820 1088421892 /nfs/dbraw/zinc/42/18/92/1088421892.db2.gz HQIDJRNTLLIJSR-VGOFRKELSA-N 1 3 363.505 4.092 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000659284820 1088421895 /nfs/dbraw/zinc/42/18/95/1088421895.db2.gz HQIDJRNTLLIJSR-VGOFRKELSA-N 1 3 363.505 4.092 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339110 1088457637 /nfs/dbraw/zinc/45/76/37/1088457637.db2.gz WRFBUUWXMLBGPZ-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339110 1088457643 /nfs/dbraw/zinc/45/76/43/1088457643.db2.gz WRFBUUWXMLBGPZ-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1OC ZINC000514084829 1088724509 /nfs/dbraw/zinc/72/45/09/1088724509.db2.gz RWMHCVWASUUIMG-SFHVURJKSA-N 1 3 368.521 4.111 20 0 FIADHO COc1ccc([C@H](C)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1OC ZINC000514084829 1088724523 /nfs/dbraw/zinc/72/45/23/1088724523.db2.gz RWMHCVWASUUIMG-SFHVURJKSA-N 1 3 368.521 4.111 20 0 FIADHO [NH3+]CCC[C@@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000415044661 1089091796 /nfs/dbraw/zinc/09/17/96/1089091796.db2.gz ATXLDGLGPPJIQD-QGZVFWFLSA-N 1 3 351.263 4.158 20 0 FIADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000415046867 1089092795 /nfs/dbraw/zinc/09/27/95/1089092795.db2.gz VLDICKKDPIPOLS-SMDDNHRTSA-N 1 3 355.429 4.046 20 0 FIADHO COc1cccc([C@H](NC2CCC(C[NH3+])CC2)c2cc(F)ccc2OC)c1 ZINC000415077557 1089127154 /nfs/dbraw/zinc/12/71/54/1089127154.db2.gz FLJMWGFULAIYSD-URWDPPFZSA-N 1 3 372.484 4.039 20 0 FIADHO CC1CCN([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089312 1089147189 /nfs/dbraw/zinc/14/71/89/1089147189.db2.gz WDFDOBBLHPIABN-MTQWCTHYSA-N 1 3 361.599 4.031 20 0 FIADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000415120967 1089182627 /nfs/dbraw/zinc/18/26/27/1089182627.db2.gz GWZRKDRRTQUJEA-FPOVZHCZSA-N 1 3 374.525 4.273 20 0 FIADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000415120813 1089185050 /nfs/dbraw/zinc/18/50/50/1089185050.db2.gz HBBCEVQHWLLUHT-KXBFYZLASA-N 1 3 371.352 4.144 20 0 FIADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000415120810 1089185407 /nfs/dbraw/zinc/18/54/07/1089185407.db2.gz HBBCEVQHWLLUHT-BEFAXECRSA-N 1 3 371.352 4.144 20 0 FIADHO c1cc(CN(Cc2cccc3cccnc32)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427315 1089645476 /nfs/dbraw/zinc/64/54/76/1089645476.db2.gz MGWLSWWJQRARJJ-FQEVSTJZSA-N 1 3 363.530 4.441 20 0 FIADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163948032 1090284328 /nfs/dbraw/zinc/28/43/28/1090284328.db2.gz RMFMPFYOSOYWII-QGZVFWFLSA-N 1 3 374.550 4.089 20 0 FIADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163948032 1090284337 /nfs/dbraw/zinc/28/43/37/1090284337.db2.gz RMFMPFYOSOYWII-QGZVFWFLSA-N 1 3 374.550 4.089 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000511595887 1090611653 /nfs/dbraw/zinc/61/16/53/1090611653.db2.gz TYNIMWVAKYWLMO-WOJBJXKFSA-N 1 3 366.549 4.204 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310969 1090805394 /nfs/dbraw/zinc/80/53/94/1090805394.db2.gz LELUWSLBEXWJAN-FYZZASKESA-N 1 3 354.563 4.394 20 0 FIADHO CN(C)Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000511665201 1091517959 /nfs/dbraw/zinc/51/79/59/1091517959.db2.gz OQXBFJFXSSNSIY-UHFFFAOYSA-N 1 3 365.521 4.029 20 0 FIADHO Fc1ccc(C(CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000613996231 1092018961 /nfs/dbraw/zinc/01/89/61/1092018961.db2.gz QWAOARZQMFFLBR-RTBURBONSA-N 1 3 356.460 4.028 20 0 FIADHO COc1cc(-c2ccccc2)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000512382581 1092196748 /nfs/dbraw/zinc/19/67/48/1092196748.db2.gz JZESFIPLEUWIQJ-FRIKZZABSA-N 1 3 350.506 4.467 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000467434791 1092234129 /nfs/dbraw/zinc/23/41/29/1092234129.db2.gz FOOQXPFNLGDBJC-AVRDEDQJSA-N 1 3 354.542 4.257 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000467434791 1092234142 /nfs/dbraw/zinc/23/41/42/1092234142.db2.gz FOOQXPFNLGDBJC-AVRDEDQJSA-N 1 3 354.542 4.257 20 0 FIADHO C[C@H]1CC([NH2+]CCN(C)Cc2ccccc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012506 1092340155 /nfs/dbraw/zinc/34/01/55/1092340155.db2.gz BCRBKECNTXGBTO-SFTDATJTSA-N 1 3 365.565 4.150 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H](NCC[C@@H]([NH3+])C(C)C)CCC3)cc1 ZINC000665281237 1092597039 /nfs/dbraw/zinc/59/70/39/1092597039.db2.gz YBIHDVZURTZPEI-SJORKVTESA-N 1 3 359.539 4.159 20 0 FIADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110430631 1092875335 /nfs/dbraw/zinc/87/53/35/1092875335.db2.gz BBUSTTIOUWKNMR-BBWFWOEESA-N 1 3 350.934 4.222 20 0 FIADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110430631 1092875348 /nfs/dbraw/zinc/87/53/48/1092875348.db2.gz BBUSTTIOUWKNMR-BBWFWOEESA-N 1 3 350.934 4.222 20 0 FIADHO CCCOc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000521830263 1092933459 /nfs/dbraw/zinc/93/34/59/1092933459.db2.gz LVPCIUAKTCYYBK-QFIPXVFZSA-N 1 3 352.522 4.130 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2c(F)cccc2N2CCCC2)C1 ZINC000521818490 1092936412 /nfs/dbraw/zinc/93/64/12/1092936412.db2.gz UAYOJBDVMQYGBC-KDURUIRLSA-N 1 3 361.549 4.274 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2c(F)cccc2N2CCCC2)C1 ZINC000521818490 1092936415 /nfs/dbraw/zinc/93/64/15/1092936415.db2.gz UAYOJBDVMQYGBC-KDURUIRLSA-N 1 3 361.549 4.274 20 0 FIADHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000245689283 1092948415 /nfs/dbraw/zinc/94/84/15/1092948415.db2.gz KAZHVCUSKIFONH-VXDOVQPVSA-N 1 3 368.496 4.033 20 0 FIADHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000245689283 1092948418 /nfs/dbraw/zinc/94/84/18/1092948418.db2.gz KAZHVCUSKIFONH-VXDOVQPVSA-N 1 3 368.496 4.033 20 0 FIADHO C[C@H]1CC(NCCC(=O)Nc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168023508 1093361588 /nfs/dbraw/zinc/36/15/88/1093361588.db2.gz XCIGLIMQFQJBBJ-OALUTQOASA-N 1 3 365.521 4.046 20 0 FIADHO C[C@H]1CC(NCc2cccc3c2cnn3C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168031840 1093655672 /nfs/dbraw/zinc/65/56/72/1093655672.db2.gz CPOCSKFDUXWLLJ-ROUUACIJSA-N 1 3 362.521 4.105 20 0 FIADHO CC(C)n1nccc1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000474482983 1093830192 /nfs/dbraw/zinc/83/01/92/1093830192.db2.gz QXDNDPXRPIACET-UHFFFAOYSA-N 1 3 362.521 4.482 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc(Oc3ccccc3)cc1)C2 ZINC000513160456 1093942762 /nfs/dbraw/zinc/94/27/62/1093942762.db2.gz PFIZFEQBESPFKJ-YOFSQIOKSA-N 1 3 366.505 4.415 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc(Oc3ccccc3)cc1)C2 ZINC000513160456 1093942763 /nfs/dbraw/zinc/94/27/63/1093942763.db2.gz PFIZFEQBESPFKJ-YOFSQIOKSA-N 1 3 366.505 4.415 20 0 FIADHO O=c1oc2ccc(CNCc3ccc(C[NH+]4CCCCCC4)cc3)cc2o1 ZINC001648951621 1094106404 /nfs/dbraw/zinc/10/64/04/1094106404.db2.gz ZTMWXNHNUXZNBK-UHFFFAOYSA-N 1 3 366.461 4.052 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474598665 1094394384 /nfs/dbraw/zinc/39/43/84/1094394384.db2.gz JMFPOSFWRJXFDQ-BPKGMFCQSA-N 1 3 370.990 4.373 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000501024322 1094441921 /nfs/dbraw/zinc/44/19/21/1094441921.db2.gz PEZANWNVCGDRQG-XMMPIXPASA-N 1 3 371.613 4.280 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000501024322 1094441924 /nfs/dbraw/zinc/44/19/24/1094441924.db2.gz PEZANWNVCGDRQG-XMMPIXPASA-N 1 3 371.613 4.280 20 0 FIADHO CCC(CC)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cccs1 ZINC000501028771 1094446111 /nfs/dbraw/zinc/44/61/11/1094446111.db2.gz JTIDVOZOBGWJAI-HXUWFJFHSA-N 1 3 351.604 4.231 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@@H](F)C(F)(F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041854 1094635227 /nfs/dbraw/zinc/63/52/27/1094635227.db2.gz WMYXXUDTHZCIJV-UKBAYJJMSA-N 1 3 354.460 4.497 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@@H](F)C(F)(F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041854 1094635236 /nfs/dbraw/zinc/63/52/36/1094635236.db2.gz WMYXXUDTHZCIJV-UKBAYJJMSA-N 1 3 354.460 4.497 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000501390333 1094675023 /nfs/dbraw/zinc/67/50/23/1094675023.db2.gz VRJYTFNWOFCKMZ-AKFKNWHVSA-N 1 3 363.549 4.262 20 0 FIADHO CN(Cc1cn(Cc2ccccc2)nc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000513717001 1094791260 /nfs/dbraw/zinc/79/12/60/1094791260.db2.gz KYGSNYQXTDAADU-UHFFFAOYSA-N 1 3 368.569 4.003 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCSCC5)[C@@H]3C2)cc1 ZINC000421384110 1095586565 /nfs/dbraw/zinc/58/65/65/1095586565.db2.gz OWHBYWHNGQTVFA-BQJUDKOJSA-N 1 3 356.579 4.020 20 0 FIADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000513761019 1095994553 /nfs/dbraw/zinc/99/45/53/1095994553.db2.gz LMTMBVLHXXWVJE-HSZRJFAPSA-N 1 3 367.537 4.086 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000422710988 1096460105 /nfs/dbraw/zinc/46/01/05/1096460105.db2.gz METPSSDPVMCIBD-YWZLYKJASA-N 1 3 359.489 4.132 20 0 FIADHO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000422730097 1096464245 /nfs/dbraw/zinc/46/42/45/1096464245.db2.gz DDJJZWMACDTNNL-INIZCTEOSA-N 1 3 353.510 4.020 20 0 FIADHO COc1ccc2cc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422799493 1096493231 /nfs/dbraw/zinc/49/32/31/1096493231.db2.gz XAGDRFOHBXONAE-LADGPHEKSA-N 1 3 374.484 4.194 20 0 FIADHO COc1ccc(-c2csc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)c2)cc1 ZINC000422818031 1096503859 /nfs/dbraw/zinc/50/38/59/1096503859.db2.gz FHRAPUKSTTWZEE-AWEZNQCLSA-N 1 3 367.518 4.437 20 0 FIADHO c1c2ccccc2sc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422902784 1096520323 /nfs/dbraw/zinc/52/03/23/1096520323.db2.gz NOYUNSWYBKUXSW-GHTZIAJQSA-N 1 3 350.487 4.247 20 0 FIADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 ZINC000422938195 1096530437 /nfs/dbraw/zinc/53/04/37/1096530437.db2.gz GVSDTUOVZVXIBR-UXHICEINSA-N 1 3 356.897 4.123 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423025356 1096554106 /nfs/dbraw/zinc/55/41/06/1096554106.db2.gz LLDICOAHAOKZDL-LBPRGKRZSA-N 1 3 368.308 4.023 20 0 FIADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423119773 1096578763 /nfs/dbraw/zinc/57/87/63/1096578763.db2.gz DQXBFCXEIGBPNF-MMPTUQATSA-N 1 3 350.304 4.023 20 0 FIADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@H]1CCC[NH2+]CC1 ZINC000423127446 1096579825 /nfs/dbraw/zinc/57/98/25/1096579825.db2.gz TWHTVTHMGLPUEO-SUMWQHHRSA-N 1 3 362.315 4.040 20 0 FIADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H]1CCC[NH2+]CC1 ZINC000423127443 1096580366 /nfs/dbraw/zinc/58/03/66/1096580366.db2.gz TWHTVTHMGLPUEO-CXAGYDPISA-N 1 3 362.315 4.040 20 0 FIADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423129809 1096581506 /nfs/dbraw/zinc/58/15/06/1096581506.db2.gz MIZCHZCUZFBLKG-SESVDKBCSA-N 1 3 358.913 4.315 20 0 FIADHO CSc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112054 1096586143 /nfs/dbraw/zinc/58/61/43/1096586143.db2.gz XGZVPQVDHFNTRE-ZRCAFCQKSA-N 1 3 354.519 4.315 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000423291463 1096636199 /nfs/dbraw/zinc/63/61/99/1096636199.db2.gz IJMKEVKONNHEMH-DIFFPNOSSA-N 1 3 363.274 4.385 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000423296226 1096644390 /nfs/dbraw/zinc/64/43/90/1096644390.db2.gz YPKWEABVQDPWPI-XIKOKIGWSA-N 1 3 350.384 4.382 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000423296224 1096644732 /nfs/dbraw/zinc/64/47/32/1096644732.db2.gz YPKWEABVQDPWPI-SGTLLEGYSA-N 1 3 350.384 4.382 20 0 FIADHO Cc1cc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)sc1Br ZINC000423401218 1096664133 /nfs/dbraw/zinc/66/41/33/1096664133.db2.gz VWUYGPSNLPTDJB-NSHDSACASA-N 1 3 351.313 4.273 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N ZINC000423447469 1096679289 /nfs/dbraw/zinc/67/92/89/1096679289.db2.gz PBSCCJAANYYHGU-DCAQKATOSA-N 1 3 368.344 4.267 20 0 FIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423452833 1096681241 /nfs/dbraw/zinc/68/12/41/1096681241.db2.gz KBNSULSYCYLBJD-ACJLOTCBSA-N 1 3 365.290 4.395 20 0 FIADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423475047 1096696062 /nfs/dbraw/zinc/69/60/62/1096696062.db2.gz PSCKDMLQYJBKRQ-QBIMZIAESA-N 1 3 363.299 4.239 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000423482053 1096703052 /nfs/dbraw/zinc/70/30/52/1096703052.db2.gz XONFIEMTHBGHFO-VMXDCPSBSA-N 1 3 370.512 4.309 20 0 FIADHO NC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C2CC3CC(C2)CC1C3 ZINC000423530375 1096708757 /nfs/dbraw/zinc/70/87/57/1096708757.db2.gz RHIRQZLREOUVQO-KUEIPULJSA-N 1 3 372.528 4.037 20 0 FIADHO C[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccsc2)[C@H]1c1cccs1 ZINC000436236208 1098861407 /nfs/dbraw/zinc/86/14/07/1098861407.db2.gz DSVLYZMKTLAZRX-LIRRHRJNSA-N 1 3 372.563 4.372 20 0 FIADHO C[N@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccsc2)[C@H]1c1cccs1 ZINC000436236208 1098861421 /nfs/dbraw/zinc/86/14/21/1098861421.db2.gz DSVLYZMKTLAZRX-LIRRHRJNSA-N 1 3 372.563 4.372 20 0 FIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301834 1098915687 /nfs/dbraw/zinc/91/56/87/1098915687.db2.gz OTIHAPJGTIOWBH-KKSFZXQISA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301834 1098915694 /nfs/dbraw/zinc/91/56/94/1098915694.db2.gz OTIHAPJGTIOWBH-KKSFZXQISA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000515846352 1098978720 /nfs/dbraw/zinc/97/87/20/1098978720.db2.gz VUSQXTJGJACWER-UZLBHIALSA-N 1 3 372.484 4.083 20 0 FIADHO C[C@@]1(CNCc2c[nH]nc2-c2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000436403999 1098992931 /nfs/dbraw/zinc/99/29/31/1098992931.db2.gz AZBFNQBWVJFICW-NRFANRHFSA-N 1 3 366.534 4.283 20 0 FIADHO C[C@@]1(CNCc2c[nH]nc2-c2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000436403999 1098992936 /nfs/dbraw/zinc/99/29/36/1098992936.db2.gz AZBFNQBWVJFICW-NRFANRHFSA-N 1 3 366.534 4.283 20 0 FIADHO CCN1CCN(c2ccc(Nc3ccccc3C[NH+](CC)CC)cc2)CC1 ZINC001211994318 1099158973 /nfs/dbraw/zinc/15/89/73/1099158973.db2.gz SROCZQHMKGAANI-UHFFFAOYSA-N 1 3 366.553 4.414 20 0 FIADHO c1cc2c(s1)CCC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000161938086 1099548175 /nfs/dbraw/zinc/54/81/75/1099548175.db2.gz DCMPOXYECWVJQA-FQEVSTJZSA-N 1 3 356.535 4.390 20 0 FIADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702106 1099856251 /nfs/dbraw/zinc/85/62/51/1099856251.db2.gz YNXRTPFAKIXUMC-QWFCFKBJSA-N 1 3 356.485 4.093 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702685 1099858091 /nfs/dbraw/zinc/85/80/91/1099858091.db2.gz WHKNJEUQZNNMDK-WIYYLYMNSA-N 1 3 367.537 4.259 20 0 FIADHO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000508713198 1099903818 /nfs/dbraw/zinc/90/38/18/1099903818.db2.gz SLLUZDUZQICUJO-NFBKMPQASA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000508713198 1099903820 /nfs/dbraw/zinc/90/38/20/1099903820.db2.gz SLLUZDUZQICUJO-NFBKMPQASA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508713198 1099903823 /nfs/dbraw/zinc/90/38/23/1099903823.db2.gz SLLUZDUZQICUJO-NFBKMPQASA-N 1 3 374.532 4.181 20 0 FIADHO C[NH+](C)CCOC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000536676595 1100164074 /nfs/dbraw/zinc/16/40/74/1100164074.db2.gz QAEYSIROIBSJOT-UHFFFAOYSA-N 1 3 362.514 4.097 20 0 FIADHO c1ccc(C[NH+]2CCC([C@@H]3CCCCCN3Cc3ncccn3)CC2)cc1 ZINC000459531388 1100281939 /nfs/dbraw/zinc/28/19/39/1100281939.db2.gz VPYMLMLOPKZMBZ-QFIPXVFZSA-N 1 3 364.537 4.133 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834935 1100346407 /nfs/dbraw/zinc/34/64/07/1100346407.db2.gz YUAWAHMAUFSGAA-AZUAARDMSA-N 1 3 354.542 4.199 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834935 1100346418 /nfs/dbraw/zinc/34/64/18/1100346418.db2.gz YUAWAHMAUFSGAA-AZUAARDMSA-N 1 3 354.542 4.199 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@@H]4CC[N@H+](C)C[C@@H]4C)cc3)ccc2O1 ZINC000536838069 1100349488 /nfs/dbraw/zinc/34/94/88/1100349488.db2.gz GNOJDLTZNSUSCX-GSHUGGBRSA-N 1 3 350.506 4.107 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@@H]4CC[N@@H+](C)C[C@@H]4C)cc3)ccc2O1 ZINC000536838069 1100349499 /nfs/dbraw/zinc/34/94/99/1100349499.db2.gz GNOJDLTZNSUSCX-GSHUGGBRSA-N 1 3 350.506 4.107 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000536844297 1100357051 /nfs/dbraw/zinc/35/70/51/1100357051.db2.gz HWSNDMDHWMMEEG-QHAWAJNXSA-N 1 3 362.945 4.075 20 0 FIADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000536860370 1100376124 /nfs/dbraw/zinc/37/61/24/1100376124.db2.gz YZWLFHBEWJDTLU-JTDSTZFVSA-N 1 3 370.484 4.218 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000414921850 1100417402 /nfs/dbraw/zinc/41/74/02/1100417402.db2.gz FAJSFYGOSPRUCQ-QLBRKBSLSA-N 1 3 361.533 4.146 20 0 FIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000536947249 1101368350 /nfs/dbraw/zinc/36/83/50/1101368350.db2.gz PLUDHHQQZYVPRZ-MRXNPFEDSA-N 1 3 362.949 4.389 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1O2 ZINC000537173930 1101517214 /nfs/dbraw/zinc/51/72/14/1101517214.db2.gz OZOUPEZPSORWDA-FQEVSTJZSA-N 1 3 372.459 4.085 20 0 FIADHO CCOc1cccc2cc([C@@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000537303641 1101627919 /nfs/dbraw/zinc/62/79/19/1101627919.db2.gz HEBAGZGGBGXKII-FGTMMUONSA-N 1 3 374.525 4.372 20 0 FIADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001168169620 1101864419 /nfs/dbraw/zinc/86/44/19/1101864419.db2.gz ZMTQQAAEIZNVPR-MRXNPFEDSA-N 1 3 360.904 4.446 20 0 FIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131440 1101970317 /nfs/dbraw/zinc/97/03/17/1101970317.db2.gz JSDIMCHOSGUVEE-LQWHRVPQSA-N 1 3 366.505 4.019 20 0 FIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131440 1101970321 /nfs/dbraw/zinc/97/03/21/1101970321.db2.gz JSDIMCHOSGUVEE-LQWHRVPQSA-N 1 3 366.505 4.019 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000532507009 1102434700 /nfs/dbraw/zinc/43/47/00/1102434700.db2.gz LAKPLADTRYVWQC-AEFFLSMTSA-N 1 3 355.551 4.427 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000532507009 1102434701 /nfs/dbraw/zinc/43/47/01/1102434701.db2.gz LAKPLADTRYVWQC-AEFFLSMTSA-N 1 3 355.551 4.427 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cccc(CO)c1 ZINC000121739579 1102446333 /nfs/dbraw/zinc/44/63/33/1102446333.db2.gz GJVXVYIXQRGIGV-KRWDZBQOSA-N 1 3 372.940 4.395 20 0 FIADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886440 1102658330 /nfs/dbraw/zinc/65/83/30/1102658330.db2.gz PDTVVMMAYCVIDK-VABKMULXSA-N 1 3 370.581 4.330 20 0 FIADHO CCN(Cc1ccc(COC)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661082 1102785858 /nfs/dbraw/zinc/78/58/58/1102785858.db2.gz LRDQKXNHDQCGRP-HSZRJFAPSA-N 1 3 352.522 4.177 20 0 FIADHO CCN(Cc1ccc(COC)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661082 1102785870 /nfs/dbraw/zinc/78/58/70/1102785870.db2.gz LRDQKXNHDQCGRP-HSZRJFAPSA-N 1 3 352.522 4.177 20 0 FIADHO CCN(Cc1ccc(COC)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661083 1102786623 /nfs/dbraw/zinc/78/66/23/1102786623.db2.gz LRDQKXNHDQCGRP-QHCPKHFHSA-N 1 3 352.522 4.177 20 0 FIADHO CCN(Cc1ccc(COC)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661083 1102786624 /nfs/dbraw/zinc/78/66/24/1102786624.db2.gz LRDQKXNHDQCGRP-QHCPKHFHSA-N 1 3 352.522 4.177 20 0 FIADHO Cc1ccccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550262494 1102883419 /nfs/dbraw/zinc/88/34/19/1102883419.db2.gz IKFLOBIRMOFCSG-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550262494 1102883433 /nfs/dbraw/zinc/88/34/33/1102883433.db2.gz IKFLOBIRMOFCSG-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550262494 1102883445 /nfs/dbraw/zinc/88/34/45/1102883445.db2.gz IKFLOBIRMOFCSG-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133011583 1102928135 /nfs/dbraw/zinc/92/81/35/1102928135.db2.gz SHGOWHAWPXISPN-QZTJIDSGSA-N 1 3 362.583 4.339 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175387 1102948720 /nfs/dbraw/zinc/94/87/20/1102948720.db2.gz IGXVCXLKQKSYQB-DZFGPLHGSA-N 1 3 354.469 4.247 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175387 1102948726 /nfs/dbraw/zinc/94/87/26/1102948726.db2.gz IGXVCXLKQKSYQB-DZFGPLHGSA-N 1 3 354.469 4.247 20 0 FIADHO COCCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197586 1102975799 /nfs/dbraw/zinc/97/57/99/1102975799.db2.gz GHHDWMFXPPYETF-JTHBVZDNSA-N 1 3 368.521 4.027 20 0 FIADHO COCCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197586 1102975807 /nfs/dbraw/zinc/97/58/07/1102975807.db2.gz GHHDWMFXPPYETF-JTHBVZDNSA-N 1 3 368.521 4.027 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000551268151 1103026238 /nfs/dbraw/zinc/02/62/38/1103026238.db2.gz PEAHATALRNROFW-QFIPXVFZSA-N 1 3 368.521 4.280 20 0 FIADHO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265358 1103027403 /nfs/dbraw/zinc/02/74/03/1103027403.db2.gz UBCBRZOUMSWCAD-REWPJTCUSA-N 1 3 370.581 4.474 20 0 FIADHO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167984747 1103219497 /nfs/dbraw/zinc/21/94/97/1103219497.db2.gz QOWUXKBSHRARAS-HNYYDBCASA-N 1 3 356.554 4.354 20 0 FIADHO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167984747 1103219504 /nfs/dbraw/zinc/21/95/04/1103219504.db2.gz QOWUXKBSHRARAS-HNYYDBCASA-N 1 3 356.554 4.354 20 0 FIADHO Cc1ccccc1[C@@H](C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000551428899 1103220852 /nfs/dbraw/zinc/22/08/52/1103220852.db2.gz WAZHZEPTFXLKSR-HXUWFJFHSA-N 1 3 373.585 4.003 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CC1(c3ccccc3)CC1)c1ccccc1O2 ZINC000538268386 1104090266 /nfs/dbraw/zinc/09/02/66/1104090266.db2.gz HHZVODAFPAIGKC-NRFANRHFSA-N 1 3 362.517 4.296 20 0 FIADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538295263 1104113551 /nfs/dbraw/zinc/11/35/51/1104113551.db2.gz BILCWCWOROWOPR-VQIMIIECSA-N 1 3 356.535 4.257 20 0 FIADHO CSCc1cccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000188717507 1104751302 /nfs/dbraw/zinc/75/13/02/1104751302.db2.gz VHBLJQGOXSFDKY-QGZVFWFLSA-N 1 3 358.551 4.341 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152426639 1105173958 /nfs/dbraw/zinc/17/39/58/1105173958.db2.gz CRSFCTZBWZCCCZ-RDTXWAMCSA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152426639 1105173961 /nfs/dbraw/zinc/17/39/61/1105173961.db2.gz CRSFCTZBWZCCCZ-RDTXWAMCSA-N 1 3 371.525 4.401 20 0 FIADHO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000530544689 1107127652 /nfs/dbraw/zinc/12/76/52/1107127652.db2.gz UQUPTBAOKNHDNC-SYYKKAFVSA-N 1 3 350.506 4.319 20 0 FIADHO COc1cc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(-c2ccccc2)cc1OC ZINC000530675903 1107249188 /nfs/dbraw/zinc/24/91/88/1107249188.db2.gz ZQPVHMQHOCPZDL-UXHICEINSA-N 1 3 368.521 4.333 20 0 FIADHO COc1cc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(-c2ccccc2)cc1OC ZINC000530675904 1107249337 /nfs/dbraw/zinc/24/93/37/1107249337.db2.gz ZQPVHMQHOCPZDL-VQTJNVASSA-N 1 3 368.521 4.333 20 0 FIADHO CC(CN1CCC[C@@]2(CCSC2)C1)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980252 1107411442 /nfs/dbraw/zinc/41/14/42/1107411442.db2.gz QXCVPTKGQGGVFZ-WOJBJXKFSA-N 1 3 368.656 4.061 20 0 FIADHO CC(CN1CCC[C@@]2(CCSC2)C1)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980252 1107411452 /nfs/dbraw/zinc/41/14/52/1107411452.db2.gz QXCVPTKGQGGVFZ-WOJBJXKFSA-N 1 3 368.656 4.061 20 0 FIADHO Brc1cccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000475546797 1107703576 /nfs/dbraw/zinc/70/35/76/1107703576.db2.gz FTSWUIFODVDZHH-UHFFFAOYSA-N 1 3 363.343 4.302 20 0 FIADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453164081 1108235267 /nfs/dbraw/zinc/23/52/67/1108235267.db2.gz QQDZWZGEDVSFGY-NJYVYQBISA-N 1 3 362.945 4.149 20 0 FIADHO CCn1ccnc1[C@@H](C)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000453184230 1108253074 /nfs/dbraw/zinc/25/30/74/1108253074.db2.gz UDBJBWPZZOWNLN-LJQANCHMSA-N 1 3 354.542 4.246 20 0 FIADHO Cc1cc(C)c(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000531848335 1108263852 /nfs/dbraw/zinc/26/38/52/1108263852.db2.gz URRXUXWMLBAESQ-UHFFFAOYSA-N 1 3 365.565 4.432 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000524758614 1109144690 /nfs/dbraw/zinc/14/46/90/1109144690.db2.gz OEOPINRLXWYZNZ-UHFFFAOYSA-N 1 3 358.448 4.180 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000524758614 1109144693 /nfs/dbraw/zinc/14/46/93/1109144693.db2.gz OEOPINRLXWYZNZ-UHFFFAOYSA-N 1 3 358.448 4.180 20 0 FIADHO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000524842191 1109176886 /nfs/dbraw/zinc/17/68/86/1109176886.db2.gz YDJRTFWBEWWFJP-OAHLLOKOSA-N 1 3 361.436 4.209 20 0 FIADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525633043 1109462458 /nfs/dbraw/zinc/46/24/58/1109462458.db2.gz DSCFXDDDCDAJBJ-JTVPBKEVSA-N 1 3 363.634 4.329 20 0 FIADHO COCCC[NH+]1CCC(N[C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447538253 1109572031 /nfs/dbraw/zinc/57/20/31/1109572031.db2.gz BFRAGCCVUFDADE-HSZRJFAPSA-N 1 3 370.512 4.200 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H](CCO)c2ccccc2)CC1 ZINC000449164566 1109990433 /nfs/dbraw/zinc/99/04/33/1109990433.db2.gz ZPTOHXKVOGJKOB-FQEVSTJZSA-N 1 3 360.586 4.421 20 0 FIADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000538409031 1111129609 /nfs/dbraw/zinc/12/96/09/1111129609.db2.gz AUTFZFKDQKJTMX-DNVJHFABSA-N 1 3 356.554 4.275 20 0 FIADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539218634 1111480401 /nfs/dbraw/zinc/48/04/01/1111480401.db2.gz XMPNSUFRAYNJDA-YTFSRNRJSA-N 1 3 374.544 4.415 20 0 FIADHO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552047833 1111556832 /nfs/dbraw/zinc/55/68/32/1111556832.db2.gz ZZWDWZFRVYJIAF-FDFHNCONSA-N 1 3 358.570 4.066 20 0 FIADHO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552047831 1111557047 /nfs/dbraw/zinc/55/70/47/1111557047.db2.gz ZZWDWZFRVYJIAF-BHDDXSALSA-N 1 3 358.570 4.066 20 0 FIADHO C[C@@H](O)[C@](C)(CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)Cc1ccccc1 ZINC000477858849 1111580091 /nfs/dbraw/zinc/58/00/91/1111580091.db2.gz MWUDVJKBELXPND-CHOVIJNXSA-N 1 3 372.597 4.249 20 0 FIADHO Fc1ccc([C@H](N[C@H]2CC23CC[NH2+]CC3)c2cnc3ccccc3c2)cc1 ZINC000643536997 1111774460 /nfs/dbraw/zinc/77/44/60/1111774460.db2.gz XUDOVRQUSCAYMV-VXKWHMMOSA-N 1 3 361.464 4.195 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2c(C)nc3ccccn32)CC1)CC(C)C ZINC000552993728 1111881869 /nfs/dbraw/zinc/88/18/69/1111881869.db2.gz OXUPAPXDGZGZTN-UHFFFAOYSA-N 1 3 356.558 4.223 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2c(C)nc3ccccn32)CC1)CC(C)C ZINC000552993728 1111881872 /nfs/dbraw/zinc/88/18/72/1111881872.db2.gz OXUPAPXDGZGZTN-UHFFFAOYSA-N 1 3 356.558 4.223 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055373 1111937867 /nfs/dbraw/zinc/93/78/67/1111937867.db2.gz FICPBTQCSNDUSM-SUYBPPKGSA-N 1 3 351.332 4.244 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055373 1111937868 /nfs/dbraw/zinc/93/78/68/1111937868.db2.gz FICPBTQCSNDUSM-SUYBPPKGSA-N 1 3 351.332 4.244 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479063413 1111939225 /nfs/dbraw/zinc/93/92/25/1111939225.db2.gz FEDHKGLHFUSRRO-HSZRJFAPSA-N 1 3 374.532 4.491 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479063413 1111939227 /nfs/dbraw/zinc/93/92/27/1111939227.db2.gz FEDHKGLHFUSRRO-HSZRJFAPSA-N 1 3 374.532 4.491 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000479355732 1111997074 /nfs/dbraw/zinc/99/70/74/1111997074.db2.gz HAQVJOYKIVVGMC-JOCHJYFZSA-N 1 3 360.505 4.101 20 0 FIADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000479465789 1112034708 /nfs/dbraw/zinc/03/47/08/1112034708.db2.gz PXPNPRJMPSYHFX-NQIIRXRSSA-N 1 3 354.469 4.151 20 0 FIADHO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000479509170 1112054109 /nfs/dbraw/zinc/05/41/09/1112054109.db2.gz BDXQCTWHVKLLLE-WTNGLUPJSA-N 1 3 367.306 4.182 20 0 FIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000479764449 1112135334 /nfs/dbraw/zinc/13/53/34/1112135334.db2.gz GWMLICSZNQWQBS-MSOLQXFVSA-N 1 3 357.546 4.045 20 0 FIADHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000554080312 1112195828 /nfs/dbraw/zinc/19/58/28/1112195828.db2.gz WHIZQOIRTOPXEJ-UHFFFAOYSA-N 1 3 371.569 4.009 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000480257698 1112347564 /nfs/dbraw/zinc/34/75/64/1112347564.db2.gz CFAYFLRGYKVHNR-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000480257698 1112347570 /nfs/dbraw/zinc/34/75/70/1112347570.db2.gz CFAYFLRGYKVHNR-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccccc1 ZINC000480733686 1112569643 /nfs/dbraw/zinc/56/96/43/1112569643.db2.gz BIZINGXEKISCMT-HSZRJFAPSA-N 1 3 351.538 4.065 20 0 FIADHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000480769573 1112587497 /nfs/dbraw/zinc/58/74/97/1112587497.db2.gz IGVVZVBCDDFZOC-LJQANCHMSA-N 1 3 372.384 4.452 20 0 FIADHO Fc1ccc([C@H](NCC2CC[NH+](CC3CC3)CC2)c2cccnc2)cc1 ZINC000658355150 1112643777 /nfs/dbraw/zinc/64/37/77/1112643777.db2.gz HTJOCHMOGJSMLW-QFIPXVFZSA-N 1 3 353.485 4.022 20 0 FIADHO Cc1cc2c(cc1C)[C@H](NCc1cccc(OCC[NH+](C)C)c1)CCCO2 ZINC000481318444 1112889240 /nfs/dbraw/zinc/88/92/40/1112889240.db2.gz VPTCBCINHKPEIW-JOCHJYFZSA-N 1 3 368.521 4.247 20 0 FIADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481730096 1113057277 /nfs/dbraw/zinc/05/72/77/1113057277.db2.gz SPXMKVNDGOVTSZ-KSFYIVLOSA-N 1 3 356.485 4.179 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326631 1113226320 /nfs/dbraw/zinc/22/63/20/1113226320.db2.gz ZDZURPNMNTWDMG-KBXCAEBGSA-N 1 3 356.432 4.283 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000482343616 1113230034 /nfs/dbraw/zinc/23/00/34/1113230034.db2.gz LIAWHCXJUMKDQX-RDTXWAMCSA-N 1 3 351.332 4.146 20 0 FIADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482445256 1113258742 /nfs/dbraw/zinc/25/87/42/1113258742.db2.gz ISDJNYYEPXTVJU-GGAORHGYSA-N 1 3 364.533 4.363 20 0 FIADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000668169272 1113405075 /nfs/dbraw/zinc/40/50/75/1113405075.db2.gz MDVPRPNXSDZOLB-LJQANCHMSA-N 1 3 369.484 4.177 20 0 FIADHO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486461858 1113572829 /nfs/dbraw/zinc/57/28/29/1113572829.db2.gz PQAOILFBWFSTDI-JURWAZFJSA-N 1 3 350.506 4.209 20 0 FIADHO COc1cc(C)c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000486522134 1113587856 /nfs/dbraw/zinc/58/78/56/1113587856.db2.gz YCJRZYCGTHPXMR-QUCCMNQESA-N 1 3 368.521 4.012 20 0 FIADHO CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000574704941 1115440570 /nfs/dbraw/zinc/44/05/70/1115440570.db2.gz SUAQXTKCNWQDAD-IBGZPJMESA-N 1 3 374.569 4.142 20 0 FIADHO CN1CC[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982735 1115775470 /nfs/dbraw/zinc/77/54/70/1115775470.db2.gz YRRRQVYFWIHYPG-SNRMKQJTSA-N 1 3 358.526 4.019 20 0 FIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnc(-c2ccccc2)[nH]1 ZINC000509450328 1116198544 /nfs/dbraw/zinc/19/85/44/1116198544.db2.gz RHKOZHCCLREDBZ-JOCHJYFZSA-N 1 3 374.532 4.467 20 0 FIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnc(-c2ccccc2)[nH]1 ZINC000509450328 1116198545 /nfs/dbraw/zinc/19/85/45/1116198545.db2.gz RHKOZHCCLREDBZ-JOCHJYFZSA-N 1 3 374.532 4.467 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000539714336 1116370316 /nfs/dbraw/zinc/37/03/16/1116370316.db2.gz OZWIIDMFTOOWTO-UHFFFAOYSA-N 1 3 350.506 4.103 20 0 FIADHO C[N@H+](Cc1ccccc1)CC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000539714336 1116370317 /nfs/dbraw/zinc/37/03/17/1116370317.db2.gz OZWIIDMFTOOWTO-UHFFFAOYSA-N 1 3 350.506 4.103 20 0 FIADHO Oc1cccc2c1CCC[C@@H]2NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896315 1117844420 /nfs/dbraw/zinc/84/44/20/1117844420.db2.gz NFOFTYTZCXRCME-UZLBHIALSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1cccc2c1CCC[C@@H]2NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896315 1117844429 /nfs/dbraw/zinc/84/44/29/1117844429.db2.gz NFOFTYTZCXRCME-UZLBHIALSA-N 1 3 356.535 4.333 20 0 FIADHO COc1ccc2cc([C@H](C)[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)ccc2c1 ZINC000540171553 1117912933 /nfs/dbraw/zinc/91/29/33/1117912933.db2.gz RJOFTMNOKVAVGV-FHWLQOOXSA-N 1 3 370.537 4.388 20 0 FIADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000540173121 1117913456 /nfs/dbraw/zinc/91/34/56/1117913456.db2.gz CVEPVEROSQGXDF-ULQDDVLXSA-N 1 3 370.484 4.136 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[C@H](C)O1 ZINC000540175436 1117916090 /nfs/dbraw/zinc/91/60/90/1117916090.db2.gz IJWNCXBTOIOHQF-JTDSTZFVSA-N 1 3 366.933 4.033 20 0 FIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176635 1117916695 /nfs/dbraw/zinc/91/66/95/1117916695.db2.gz UJBNWNPVRJSSTO-LAUBAEHRSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176635 1117916698 /nfs/dbraw/zinc/91/66/98/1117916698.db2.gz UJBNWNPVRJSSTO-LAUBAEHRSA-N 1 3 374.475 4.331 20 0 FIADHO CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540178726 1117923421 /nfs/dbraw/zinc/92/34/21/1117923421.db2.gz FCXFGJUNQSGZQH-HTAPYJJXSA-N 1 3 368.521 4.364 20 0 FIADHO CC(C)[NH+](CCNC1CCN(Cc2ccccc2Cl)CC1)C(C)C ZINC000463128991 1117976061 /nfs/dbraw/zinc/97/60/61/1117976061.db2.gz BQHYBZKRRMUCFN-UHFFFAOYSA-N 1 3 351.966 4.013 20 0 FIADHO COc1ccc([C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302001 1117976337 /nfs/dbraw/zinc/97/63/37/1117976337.db2.gz MHHQNCUBVRHZEM-GBXCKJPGSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302001 1117976341 /nfs/dbraw/zinc/97/63/41/1117976341.db2.gz MHHQNCUBVRHZEM-GBXCKJPGSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302001 1117976344 /nfs/dbraw/zinc/97/63/44/1117976344.db2.gz MHHQNCUBVRHZEM-GBXCKJPGSA-N 1 3 364.533 4.301 20 0 FIADHO C[C@H]1C[C@@H]([NH2+]CCCN(C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000463130734 1117978213 /nfs/dbraw/zinc/97/82/13/1117978213.db2.gz IHTPYYSHVZIRBT-URXFXBBRSA-N 1 3 365.565 4.151 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)CCN1Cc1ccccc1 ZINC000463137725 1117985839 /nfs/dbraw/zinc/98/58/39/1117985839.db2.gz MPAHNAJJIMJDTC-YFXJRYMSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H](c2cccc(F)c2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137725 1117985841 /nfs/dbraw/zinc/98/58/41/1117985841.db2.gz MPAHNAJJIMJDTC-YFXJRYMSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H](c2cccc(F)c2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137725 1117985845 /nfs/dbraw/zinc/98/58/45/1117985845.db2.gz MPAHNAJJIMJDTC-YFXJRYMSSA-N 1 3 369.528 4.071 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137205 1117986027 /nfs/dbraw/zinc/98/60/27/1117986027.db2.gz JHCMIMMOQCVWNX-CVDCTZTESA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137205 1117986030 /nfs/dbraw/zinc/98/60/30/1117986030.db2.gz JHCMIMMOQCVWNX-CVDCTZTESA-N 1 3 352.522 4.366 20 0 FIADHO C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1Cl ZINC000463189691 1118007122 /nfs/dbraw/zinc/00/71/22/1118007122.db2.gz JVKKYLQAYPROPI-SFHVURJKSA-N 1 3 372.940 4.404 20 0 FIADHO C[C@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)Oc1ccccc1 ZINC000540493482 1118091449 /nfs/dbraw/zinc/09/14/49/1118091449.db2.gz BAMTVGHIAHMYNP-WIYYLYMNSA-N 1 3 366.505 4.032 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000540992655 1118341852 /nfs/dbraw/zinc/34/18/52/1118341852.db2.gz YKFAZUAXIMTTOE-SPEDKVCISA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992655 1118341857 /nfs/dbraw/zinc/34/18/57/1118341857.db2.gz YKFAZUAXIMTTOE-SPEDKVCISA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000540992654 1118342076 /nfs/dbraw/zinc/34/20/76/1118342076.db2.gz YKFAZUAXIMTTOE-NPPFBWRTSA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992654 1118342079 /nfs/dbraw/zinc/34/20/79/1118342079.db2.gz YKFAZUAXIMTTOE-NPPFBWRTSA-N 1 3 365.521 4.206 20 0 FIADHO CC[NH+]1CCC(CCNCc2cc(Cl)ccc2Br)CC1 ZINC000464051440 1118414093 /nfs/dbraw/zinc/41/40/93/1118414093.db2.gz NWSIIUCSEQOMLQ-UHFFFAOYSA-N 1 3 359.739 4.314 20 0 FIADHO CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464833565 1118708820 /nfs/dbraw/zinc/70/88/20/1118708820.db2.gz FISMGTXKXUFHIK-QFIPXVFZSA-N 1 3 352.522 4.428 20 0 FIADHO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464833565 1118708824 /nfs/dbraw/zinc/70/88/24/1118708824.db2.gz FISMGTXKXUFHIK-QFIPXVFZSA-N 1 3 352.522 4.428 20 0 FIADHO CCO[C@H](CC[NH+](C)C)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000493076878 1119282587 /nfs/dbraw/zinc/28/25/87/1119282587.db2.gz FPXQVJNVYQKBAE-HXUWFJFHSA-N 1 3 362.464 4.001 20 0 FIADHO Brc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000309652025 1119292840 /nfs/dbraw/zinc/29/28/40/1119292840.db2.gz ALRLHWZFELKPDC-OAHLLOKOSA-N 1 3 365.340 4.122 20 0 FIADHO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311066295 1119355983 /nfs/dbraw/zinc/35/59/83/1119355983.db2.gz JKVJXSWGIMAYNZ-FUHWJXTLSA-N 1 3 357.567 4.441 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2sc(C)nc2C)cc1 ZINC000178131340 1119373156 /nfs/dbraw/zinc/37/31/56/1119373156.db2.gz IAQDODLVUNMVBA-OAHLLOKOSA-N 1 3 361.555 4.331 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817346 1119390534 /nfs/dbraw/zinc/39/05/34/1119390534.db2.gz PSSUEVXMTNUIIS-FUHWJXTLSA-N 1 3 360.448 4.461 20 0 FIADHO CO[C@@H](c1ccccc1)[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000493945731 1119513760 /nfs/dbraw/zinc/51/37/60/1119513760.db2.gz TZXPHCBTTXTHRW-AUSIDOKSSA-N 1 3 352.522 4.059 20 0 FIADHO CCSc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185623496 1119676525 /nfs/dbraw/zinc/67/65/25/1119676525.db2.gz DTBZMTNJSQMWCX-OAQYLSRUSA-N 1 3 370.562 4.045 20 0 FIADHO CCSc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000185623496 1119676532 /nfs/dbraw/zinc/67/65/32/1119676532.db2.gz DTBZMTNJSQMWCX-OAQYLSRUSA-N 1 3 370.562 4.045 20 0 FIADHO Cc1nc2ccc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc2s1 ZINC000494340293 1119828334 /nfs/dbraw/zinc/82/83/34/1119828334.db2.gz RYNKNIUUVPHUBI-FQEVSTJZSA-N 1 3 365.546 4.259 20 0 FIADHO Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000189369007 1119889309 /nfs/dbraw/zinc/88/93/09/1119889309.db2.gz QYUDNMNETFBLRS-DYESRHJHSA-N 1 3 354.494 4.110 20 0 FIADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000195133158 1120120427 /nfs/dbraw/zinc/12/04/27/1120120427.db2.gz DNRGUGFLOCQUIM-KNQAVFIVSA-N 1 3 366.505 4.021 20 0 FIADHO c1coc(-c2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)s2)c1 ZINC000494931413 1120376731 /nfs/dbraw/zinc/37/67/31/1120376731.db2.gz ONZAOAHBAQZZFD-UHFFFAOYSA-N 1 3 359.539 4.491 20 0 FIADHO C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000542534265 1120435273 /nfs/dbraw/zinc/43/52/73/1120435273.db2.gz RNHNTTUBGLLMTL-IRXDYDNUSA-N 1 3 350.934 4.352 20 0 FIADHO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495415297 1120793288 /nfs/dbraw/zinc/79/32/88/1120793288.db2.gz OURXFFLZHVTRKJ-DYXWJJEUSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(F)ccc1F ZINC000495548485 1120882507 /nfs/dbraw/zinc/88/25/07/1120882507.db2.gz QKTSKVNBZAVJOM-BRWVUGGUSA-N 1 3 374.475 4.425 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cc(Br)ncc1F ZINC000762738591 1120957043 /nfs/dbraw/zinc/95/70/43/1120957043.db2.gz UWSCJGLFGBPKQJ-UONOGXRCSA-N 1 3 372.326 4.146 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cc(Br)ncc1F ZINC000762738591 1120957046 /nfs/dbraw/zinc/95/70/46/1120957046.db2.gz UWSCJGLFGBPKQJ-UONOGXRCSA-N 1 3 372.326 4.146 20 0 FIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cc(Br)ncc1F ZINC000762749265 1120958906 /nfs/dbraw/zinc/95/89/06/1120958906.db2.gz RIBDBIRDQPTGRA-AWEZNQCLSA-N 1 3 372.326 4.290 20 0 FIADHO CCCN1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236793237 1120969961 /nfs/dbraw/zinc/96/99/61/1120969961.db2.gz DKNCPVVZIQAYAZ-UHFFFAOYSA-N 1 3 355.309 4.233 20 0 FIADHO CN1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000108428701 1121542029 /nfs/dbraw/zinc/54/20/29/1121542029.db2.gz BFYRDZRMRHSUSH-KRWDZBQOSA-N 1 3 371.912 4.024 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741190 1121639479 /nfs/dbraw/zinc/63/94/79/1121639479.db2.gz MGZDQCBWKCNRDH-HNNXBMFYSA-N 1 3 353.466 4.224 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741190 1121639484 /nfs/dbraw/zinc/63/94/84/1121639484.db2.gz MGZDQCBWKCNRDH-HNNXBMFYSA-N 1 3 353.466 4.224 20 0 FIADHO CN1CCC[C@H]1CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000125376422 1121774256 /nfs/dbraw/zinc/77/42/56/1121774256.db2.gz QAHYTSNZBSHVFY-INIZCTEOSA-N 1 3 371.352 4.459 20 0 FIADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556228611 1122745456 /nfs/dbraw/zinc/74/54/56/1122745456.db2.gz ASYFKCKQUKBQFH-CEMLEFRQSA-N 1 3 356.554 4.084 20 0 FIADHO Cc1cc([C@H](NCCCCC[NH+]2CCCC2)c2cccnc2)ccc1F ZINC000556233987 1122750379 /nfs/dbraw/zinc/75/03/79/1122750379.db2.gz UBGCQQGPRXVPEA-QFIPXVFZSA-N 1 3 355.501 4.474 20 0 FIADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000072725480 1123133290 /nfs/dbraw/zinc/13/32/90/1123133290.db2.gz SGQPNZQQQVLVRT-CQSZACIVSA-N 1 3 372.340 4.128 20 0 FIADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000072725480 1123133292 /nfs/dbraw/zinc/13/32/92/1123133292.db2.gz SGQPNZQQQVLVRT-CQSZACIVSA-N 1 3 372.340 4.128 20 0 FIADHO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)c1OC ZINC000556889552 1123175526 /nfs/dbraw/zinc/17/55/26/1123175526.db2.gz JHGPPIBXELTJMA-ILZDJORESA-N 1 3 374.569 4.186 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000556890432 1123176521 /nfs/dbraw/zinc/17/65/21/1123176521.db2.gz LKHDNBQLJQVCJZ-VZAIETPKSA-N 1 3 370.581 4.472 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000132467564 1123263323 /nfs/dbraw/zinc/26/33/23/1123263323.db2.gz XHQJRYKMCVIBGH-SFHVURJKSA-N 1 3 363.427 4.329 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232155 1123341232 /nfs/dbraw/zinc/34/12/32/1123341232.db2.gz GOWJZYVXIDNGMG-NMIHRBCNSA-N 1 3 350.506 4.239 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232155 1123341238 /nfs/dbraw/zinc/34/12/38/1123341238.db2.gz GOWJZYVXIDNGMG-NMIHRBCNSA-N 1 3 350.506 4.239 20 0 FIADHO CCCCN1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132748736 1123355576 /nfs/dbraw/zinc/35/55/76/1123355576.db2.gz NEVGZHCPFFVTPF-GOSISDBHSA-N 1 3 355.448 4.332 20 0 FIADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601462 1124134058 /nfs/dbraw/zinc/13/40/58/1124134058.db2.gz MMROEJMQVDPKEK-AEFFLSMTSA-N 1 3 374.916 4.054 20 0 FIADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601462 1124134060 /nfs/dbraw/zinc/13/40/60/1124134060.db2.gz MMROEJMQVDPKEK-AEFFLSMTSA-N 1 3 374.916 4.054 20 0 FIADHO COc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245645257 1124161664 /nfs/dbraw/zinc/16/16/64/1124161664.db2.gz BJLIZIVGFGJYJF-WKCHPHFGSA-N 1 3 354.469 4.120 20 0 FIADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011299 1124737410 /nfs/dbraw/zinc/73/74/10/1124737410.db2.gz LHQFAXHEKUZTHB-YOEHRIQHSA-N 1 3 359.514 4.258 20 0 FIADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011299 1124737417 /nfs/dbraw/zinc/73/74/17/1124737417.db2.gz LHQFAXHEKUZTHB-YOEHRIQHSA-N 1 3 359.514 4.258 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000248066020 1124740035 /nfs/dbraw/zinc/74/00/35/1124740035.db2.gz MGCRAZDFUQKPPQ-BQFCYCMXSA-N 1 3 361.555 4.084 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000248444568 1124769161 /nfs/dbraw/zinc/76/91/61/1124769161.db2.gz MCBOYSBVGUGYKN-HBMCJLEFSA-N 1 3 366.496 4.019 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000248441659 1124769250 /nfs/dbraw/zinc/76/92/50/1124769250.db2.gz KHKOEJBYPOFFJR-SJORKVTESA-N 1 3 364.942 4.209 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000248441659 1124769253 /nfs/dbraw/zinc/76/92/53/1124769253.db2.gz KHKOEJBYPOFFJR-SJORKVTESA-N 1 3 364.942 4.209 20 0 FIADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000249255956 1124852215 /nfs/dbraw/zinc/85/22/15/1124852215.db2.gz GNCKJSMCLYBNJU-OTWHNJEPSA-N 1 3 354.460 4.262 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000249380307 1124856084 /nfs/dbraw/zinc/85/60/84/1124856084.db2.gz QCVZUJFOSXVWKG-OLZOCXBDSA-N 1 3 351.288 4.188 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc2ccccc21 ZINC000090523359 1125000861 /nfs/dbraw/zinc/00/08/61/1125000861.db2.gz ITQAJCZDAJYIBS-IMRHEYAYSA-N 1 3 352.522 4.258 20 0 FIADHO Fc1cnccc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000449122120 1125033084 /nfs/dbraw/zinc/03/30/84/1125033084.db2.gz KIEZPVYOLZLODP-UHFFFAOYSA-N 1 3 355.501 4.045 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1CN1CCCCC1 ZINC000182202454 1125288054 /nfs/dbraw/zinc/28/80/54/1125288054.db2.gz ZISFSSTZXPVSPW-XMSQKQJNSA-N 1 3 368.521 4.065 20 0 FIADHO COc1cccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318292 1125297968 /nfs/dbraw/zinc/29/79/68/1125297968.db2.gz ASSNEMDAKDGZPZ-WIYYLYMNSA-N 1 3 368.521 4.189 20 0 FIADHO COc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318292 1125297974 /nfs/dbraw/zinc/29/79/74/1125297974.db2.gz ASSNEMDAKDGZPZ-WIYYLYMNSA-N 1 3 368.521 4.189 20 0 FIADHO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643739 1125438702 /nfs/dbraw/zinc/43/87/02/1125438702.db2.gz INSGGPVNAFWPMT-UNMCSNQZSA-N 1 3 357.501 4.189 20 0 FIADHO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccnc5ccccc45)C[C@@H]3C2)cc1 ZINC000312643739 1125438706 /nfs/dbraw/zinc/43/87/06/1125438706.db2.gz INSGGPVNAFWPMT-UNMCSNQZSA-N 1 3 357.501 4.189 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc1CN1CCCCC1 ZINC000182892625 1125668393 /nfs/dbraw/zinc/66/83/93/1125668393.db2.gz IRZGPSPXZLNNLG-MRXNPFEDSA-N 1 3 371.525 4.179 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180109063 1080449626 /nfs/dbraw/zinc/44/96/26/1080449626.db2.gz YUYMYGKGEZRZOA-QFIPXVFZSA-N 1 3 371.956 4.047 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000249767962 1080556988 /nfs/dbraw/zinc/55/69/88/1080556988.db2.gz BDPOPEPRHMRVBR-BPAFIMBUSA-N 1 3 373.541 4.483 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000249767962 1080556996 /nfs/dbraw/zinc/55/69/96/1080556996.db2.gz BDPOPEPRHMRVBR-BPAFIMBUSA-N 1 3 373.541 4.483 20 0 FIADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165720 1080816758 /nfs/dbraw/zinc/81/67/58/1080816758.db2.gz TUZWWDZQUMCFOE-YOEHRIQHSA-N 1 3 363.299 4.042 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(OCC(F)F)cc1 ZINC001648802446 1080951719 /nfs/dbraw/zinc/95/17/19/1080951719.db2.gz IKKIRECPMLCJOU-UHFFFAOYSA-N 1 3 362.464 4.461 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(OCC(F)F)cc1 ZINC001648802446 1080951722 /nfs/dbraw/zinc/95/17/22/1080951722.db2.gz IKKIRECPMLCJOU-UHFFFAOYSA-N 1 3 362.464 4.461 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(OC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237539831 1080974104 /nfs/dbraw/zinc/97/41/04/1080974104.db2.gz JCGOLNRAIJXZIA-LPHOPBHVSA-N 1 3 360.448 4.431 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237539831 1080974106 /nfs/dbraw/zinc/97/41/06/1080974106.db2.gz JCGOLNRAIJXZIA-LPHOPBHVSA-N 1 3 360.448 4.431 20 0 FIADHO CC(C)Oc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001648830448 1081267566 /nfs/dbraw/zinc/26/75/66/1081267566.db2.gz SYWUJCXPCQGVOX-UHFFFAOYSA-N 1 3 368.521 4.238 20 0 FIADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000580095127 1081589418 /nfs/dbraw/zinc/58/94/18/1081589418.db2.gz IXNWSZLXPVXFGV-QHAWAJNXSA-N 1 3 358.913 4.457 20 0 FIADHO CCCC[C@@H](CC)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000581384493 1082506852 /nfs/dbraw/zinc/50/68/52/1082506852.db2.gz YQJXNHNRMSTLIS-FCHUYYIVSA-N 1 3 358.570 4.474 20 0 FIADHO Cc1cc([C@@H](NCC2CC[NH+](CC3CC3)CC2)c2cccnc2)ccc1F ZINC000658356420 1083427826 /nfs/dbraw/zinc/42/78/26/1083427826.db2.gz NXGKBRNICQDSRP-HSZRJFAPSA-N 1 3 367.512 4.330 20 0 FIADHO CCC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548483509 1083468679 /nfs/dbraw/zinc/46/86/79/1083468679.db2.gz ATFUGWZMQXYKNF-NQIIRXRSSA-N 1 3 365.521 4.035 20 0 FIADHO Clc1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000531141922 1084339087 /nfs/dbraw/zinc/33/90/87/1084339087.db2.gz WQTDUFHUTULXHH-UHFFFAOYSA-N 1 3 362.901 4.094 20 0 FIADHO CC[NH+](CC)CCOc1ccccc1CNCc1cc2ccncc2s1 ZINC000657312126 1084424322 /nfs/dbraw/zinc/42/43/22/1084424322.db2.gz CWILDUQRYSHRQG-UHFFFAOYSA-N 1 3 369.534 4.307 20 0 FIADHO c1csc(-c2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2)c1 ZINC000657363956 1084744283 /nfs/dbraw/zinc/74/42/83/1084744283.db2.gz FTFGZUXEXWMPEL-SFHVURJKSA-N 1 3 356.535 4.006 20 0 FIADHO CCOc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1OCC ZINC000171126931 1084774749 /nfs/dbraw/zinc/77/47/49/1084774749.db2.gz UMPWXEQKTTVTPE-KRWDZBQOSA-N 1 3 356.510 4.396 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000582313629 1084859194 /nfs/dbraw/zinc/85/91/94/1084859194.db2.gz JXJNYJAVJNWJJT-CQSZACIVSA-N 1 3 362.315 4.002 20 0 FIADHO CCCN1CCC([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000125161283 1085054853 /nfs/dbraw/zinc/05/48/53/1085054853.db2.gz VZKWPVMJDRBGLF-UHFFFAOYSA-N 1 3 362.521 4.049 20 0 FIADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000657595932 1085664339 /nfs/dbraw/zinc/66/43/39/1085664339.db2.gz SSFMWTRWLWSYKY-VWLOTQADSA-N 1 3 372.512 4.210 20 0 FIADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000657595932 1085664343 /nfs/dbraw/zinc/66/43/43/1085664343.db2.gz SSFMWTRWLWSYKY-VWLOTQADSA-N 1 3 372.512 4.210 20 0 FIADHO Clc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(Cl)s1 ZINC000657613748 1085699669 /nfs/dbraw/zinc/69/96/69/1085699669.db2.gz QRXKJJIBUDLRGW-UHFFFAOYSA-N 1 3 370.349 4.452 20 0 FIADHO Clc1cc(CNCC2CC[NH+](Cc3ccncc3)CC2)c(Cl)s1 ZINC000657613748 1085699671 /nfs/dbraw/zinc/69/96/71/1085699671.db2.gz QRXKJJIBUDLRGW-UHFFFAOYSA-N 1 3 370.349 4.452 20 0 FIADHO COc1ccc(Oc2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090846583 1085898363 /nfs/dbraw/zinc/89/83/63/1085898363.db2.gz BUPCDTQZWGNQOS-WOJBJXKFSA-N 1 3 366.505 4.246 20 0 FIADHO COc1ccc(Oc2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090846583 1085898375 /nfs/dbraw/zinc/89/83/75/1085898375.db2.gz BUPCDTQZWGNQOS-WOJBJXKFSA-N 1 3 366.505 4.246 20 0 FIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347989 1085919102 /nfs/dbraw/zinc/91/91/02/1085919102.db2.gz QTEIBWOQEBOWEA-OYUZRVEBSA-N 1 3 357.325 4.273 20 0 FIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247133058 1086136583 /nfs/dbraw/zinc/13/65/83/1086136583.db2.gz VQXRRNULMZRFQQ-JYJNAYRXSA-N 1 3 367.603 4.289 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174402 1086351633 /nfs/dbraw/zinc/35/16/33/1086351633.db2.gz AWZXJHNAOQRLAK-QUJHGWJTSA-N 1 3 352.469 4.353 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174402 1086351645 /nfs/dbraw/zinc/35/16/45/1086351645.db2.gz AWZXJHNAOQRLAK-QUJHGWJTSA-N 1 3 352.469 4.353 20 0 FIADHO Clc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662296003 1086400784 /nfs/dbraw/zinc/40/07/84/1086400784.db2.gz JVAUOHVDEAGNKI-KRWDZBQOSA-N 1 3 359.901 4.207 20 0 FIADHO CCCCN1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001648933321 1086631130 /nfs/dbraw/zinc/63/11/30/1086631130.db2.gz QHXTYRKGUCPSQC-UHFFFAOYSA-N 1 3 361.530 4.388 20 0 FIADHO COc1ccccc1[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432407067 1086729087 /nfs/dbraw/zinc/72/90/87/1086729087.db2.gz JYTXBMDEGLXHNT-PGRDOPGGSA-N 1 3 360.542 4.017 20 0 FIADHO COc1ccccc1[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432407067 1086729095 /nfs/dbraw/zinc/72/90/95/1086729095.db2.gz JYTXBMDEGLXHNT-PGRDOPGGSA-N 1 3 360.542 4.017 20 0 FIADHO COCc1csc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000657772303 1086813129 /nfs/dbraw/zinc/81/31/29/1086813129.db2.gz LPZFQCXEOQLKDM-HXUWFJFHSA-N 1 3 370.562 4.286 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000650722532 1086819432 /nfs/dbraw/zinc/81/94/32/1086819432.db2.gz WBTIGQRMYLKIHT-LSTHTHJFSA-N 1 3 374.525 4.415 20 0 FIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000151167459 1086984123 /nfs/dbraw/zinc/98/41/23/1086984123.db2.gz ICUDQPRDCKNSEZ-AWEZNQCLSA-N 1 3 352.400 4.498 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000584255488 1087237884 /nfs/dbraw/zinc/23/78/84/1087237884.db2.gz LEQXDEVACRCMLO-GOSISDBHSA-N 1 3 357.517 4.046 20 0 FIADHO C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318403 1087688382 /nfs/dbraw/zinc/68/83/82/1087688382.db2.gz UCEBUKCDPORQEE-YLJYHZDGSA-N 1 3 354.542 4.192 20 0 FIADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318403 1087688384 /nfs/dbraw/zinc/68/83/84/1087688384.db2.gz UCEBUKCDPORQEE-YLJYHZDGSA-N 1 3 354.542 4.192 20 0 FIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139909 1087743396 /nfs/dbraw/zinc/74/33/96/1087743396.db2.gz NZXVBPPOEODDBD-XLIONFOSSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139909 1087743405 /nfs/dbraw/zinc/74/34/05/1087743405.db2.gz NZXVBPPOEODDBD-XLIONFOSSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139907 1087743730 /nfs/dbraw/zinc/74/37/30/1087743730.db2.gz NZXVBPPOEODDBD-FXAWDEMLSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139907 1087743743 /nfs/dbraw/zinc/74/37/43/1087743743.db2.gz NZXVBPPOEODDBD-FXAWDEMLSA-N 1 3 364.489 4.159 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1nccc2ccccc21 ZINC000658164871 1087759441 /nfs/dbraw/zinc/75/94/41/1087759441.db2.gz GDNHNTDIPRXPOF-GOSISDBHSA-N 1 3 360.505 4.193 20 0 FIADHO Cc1cccc(CC[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658166841 1087762296 /nfs/dbraw/zinc/76/22/96/1087762296.db2.gz PZVKALCQWSMXOH-FQEVSTJZSA-N 1 3 351.538 4.213 20 0 FIADHO CSc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168879 1087764508 /nfs/dbraw/zinc/76/45/08/1087764508.db2.gz ZWFAEHZMUMCAGT-KRWDZBQOSA-N 1 3 355.551 4.366 20 0 FIADHO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000186518888 1087916576 /nfs/dbraw/zinc/91/65/76/1087916576.db2.gz LEERLPGVMBDCHA-RRENTHDGSA-N 1 3 364.574 4.130 20 0 FIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(Cl)c(Br)c2)cc1 ZINC000414811671 1088192913 /nfs/dbraw/zinc/19/29/13/1088192913.db2.gz QGLNYFAHENMGSF-NSHDSACASA-N 1 3 353.691 4.412 20 0 FIADHO COc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(C(F)(F)F)c1 ZINC001143485157 1088964939 /nfs/dbraw/zinc/96/49/39/1088964939.db2.gz WNNXMSBQBWWOHS-UHFFFAOYSA-N 1 3 356.432 4.022 20 0 FIADHO COc1sc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1Br ZINC000415057254 1089101183 /nfs/dbraw/zinc/10/11/83/1089101183.db2.gz RONJDIAHSXNFEC-HNNXBMFYSA-N 1 3 369.328 4.089 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000415120811 1089185033 /nfs/dbraw/zinc/18/50/33/1089185033.db2.gz HBBCEVQHWLLUHT-DNVCBOLYSA-N 1 3 371.352 4.144 20 0 FIADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(F)c(-c4cccs4)c3)CC2)C1 ZINC000415124027 1089187592 /nfs/dbraw/zinc/18/75/92/1089187592.db2.gz MBYGDAOXEKCGJM-PXNSSMCTSA-N 1 3 374.525 4.273 20 0 FIADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001625891372 1089757775 /nfs/dbraw/zinc/75/77/75/1089757775.db2.gz HGGKQQIHKCNGEN-RXVVDRJESA-N 1 3 357.542 4.120 20 0 FIADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001625891372 1089757792 /nfs/dbraw/zinc/75/77/92/1089757792.db2.gz HGGKQQIHKCNGEN-RXVVDRJESA-N 1 3 357.542 4.120 20 0 FIADHO Cc1nc2c(s1)[C@@H](NCc1ccc(OC3CC[NH+](C)CC3)cc1)CCC2 ZINC000284342875 1089834182 /nfs/dbraw/zinc/83/41/82/1089834182.db2.gz LSEZUDNGYBJHNM-IBGZPJMESA-N 1 3 371.550 4.092 20 0 FIADHO COCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677833 1091388837 /nfs/dbraw/zinc/38/88/37/1091388837.db2.gz UUMLTIOIWDQYSJ-JOCHJYFZSA-N 1 3 352.522 4.223 20 0 FIADHO COCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677833 1091388846 /nfs/dbraw/zinc/38/88/46/1091388846.db2.gz UUMLTIOIWDQYSJ-JOCHJYFZSA-N 1 3 352.522 4.223 20 0 FIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000509528778 1092334566 /nfs/dbraw/zinc/33/45/66/1092334566.db2.gz WKXRRGXPACETNV-UHFFFAOYSA-N 1 3 368.550 4.280 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccccc2Br)C1 ZINC000520949773 1092376141 /nfs/dbraw/zinc/37/61/41/1092376141.db2.gz PZVLOTNAJKYSPM-IYBDPMFKSA-N 1 3 353.348 4.297 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccccc2Br)C1 ZINC000520949773 1092376144 /nfs/dbraw/zinc/37/61/44/1092376144.db2.gz PZVLOTNAJKYSPM-IYBDPMFKSA-N 1 3 353.348 4.297 20 0 FIADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110430637 1092876115 /nfs/dbraw/zinc/87/61/15/1092876115.db2.gz BBUSTTIOUWKNMR-ZACQAIPSSA-N 1 3 350.934 4.222 20 0 FIADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512660447 1093096456 /nfs/dbraw/zinc/09/64/56/1093096456.db2.gz NGNBYEBUKUSXJH-YPAWHYETSA-N 1 3 358.570 4.066 20 0 FIADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000513019863 1093665430 /nfs/dbraw/zinc/66/54/30/1093665430.db2.gz INYIQCBNHFAVCB-KZLRIVJYSA-N 1 3 350.934 4.222 20 0 FIADHO CC1CC[NH+](CCCCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000509924760 1094023675 /nfs/dbraw/zinc/02/36/75/1094023675.db2.gz DKIQDUKFMVKOOX-UHFFFAOYSA-N 1 3 359.539 4.428 20 0 FIADHO COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000513335573 1094071268 /nfs/dbraw/zinc/07/12/68/1094071268.db2.gz IBAXGTAYVQPJHT-IBGZPJMESA-N 1 3 358.913 4.303 20 0 FIADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000513335573 1094071273 /nfs/dbraw/zinc/07/12/73/1094071273.db2.gz IBAXGTAYVQPJHT-IBGZPJMESA-N 1 3 358.913 4.303 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363053 1094079642 /nfs/dbraw/zinc/07/96/42/1094079642.db2.gz GUFMEWKIRFLSPN-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363053 1094079648 /nfs/dbraw/zinc/07/96/48/1094079648.db2.gz GUFMEWKIRFLSPN-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000513545952 1094206609 /nfs/dbraw/zinc/20/66/09/1094206609.db2.gz UIFPMNYCMGPIBR-UDHFWRKXSA-N 1 3 362.945 4.101 20 0 FIADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000513679424 1094264037 /nfs/dbraw/zinc/26/40/37/1094264037.db2.gz WZYLSPHOLSKMCZ-OKKOYFSCSA-N 1 3 356.554 4.082 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000501007335 1094416700 /nfs/dbraw/zinc/41/67/00/1094416700.db2.gz KYXJXEPMVPXNSV-OAQYLSRUSA-N 1 3 363.565 4.309 20 0 FIADHO CN(Cc1cc(-c2cccs2)on1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045473 1094451826 /nfs/dbraw/zinc/45/18/26/1094451826.db2.gz MVYLZIRXZMBDFD-UHFFFAOYSA-N 1 3 368.506 4.147 20 0 FIADHO Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168039378 1094458525 /nfs/dbraw/zinc/45/85/25/1094458525.db2.gz DQJYVLTWMGEYQG-RMFSNUHRSA-N 1 3 362.521 4.174 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000501060562 1094472104 /nfs/dbraw/zinc/47/21/04/1094472104.db2.gz SWOGLLIRKPSECI-DUXKGJEZSA-N 1 3 363.977 4.043 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000501060563 1094473098 /nfs/dbraw/zinc/47/30/98/1094473098.db2.gz SWOGLLIRKPSECI-JRGCBEDISA-N 1 3 363.977 4.043 20 0 FIADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000501785174 1094924601 /nfs/dbraw/zinc/92/46/01/1094924601.db2.gz KLTCLLDLSBZQPY-INIZCTEOSA-N 1 3 354.485 4.096 20 0 FIADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000501785174 1094924604 /nfs/dbraw/zinc/92/46/04/1094924604.db2.gz KLTCLLDLSBZQPY-INIZCTEOSA-N 1 3 354.485 4.096 20 0 FIADHO CC1CC[NH+](C2CCC(NCc3cnc(C(F)(F)F)s3)CC2)CC1 ZINC000444000881 1095596671 /nfs/dbraw/zinc/59/66/71/1095596671.db2.gz GIXJUAKZPSKQKD-UHFFFAOYSA-N 1 3 361.477 4.295 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701935 1096455996 /nfs/dbraw/zinc/45/59/96/1096455996.db2.gz JNTNNCGMGAYPQS-ZDUSSCGKSA-N 1 3 363.427 4.250 20 0 FIADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422732374 1096465655 /nfs/dbraw/zinc/46/56/55/1096465655.db2.gz PTEPOLOLCITCRB-RBUKOAKNSA-N 1 3 370.368 4.207 20 0 FIADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422781370 1096489914 /nfs/dbraw/zinc/48/99/14/1096489914.db2.gz IQTQXJMKTIUZNT-VAMGGRTRSA-N 1 3 355.551 4.253 20 0 FIADHO Cc1nc(-c2ccc(CCN[C@H](Cc3ccccc3)[C@H](C)[NH3+])s2)cs1 ZINC000422796990 1096493585 /nfs/dbraw/zinc/49/35/85/1096493585.db2.gz KUQUIIJKMMNFRF-KBXCAEBGSA-N 1 3 371.575 4.271 20 0 FIADHO COc1cccc([C@H](N[C@H](C)CCCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422824996 1096500813 /nfs/dbraw/zinc/50/08/13/1096500813.db2.gz OVODNMHTDWURLX-VFNWGFHPSA-N 1 3 360.473 4.039 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422927347 1096527544 /nfs/dbraw/zinc/52/75/44/1096527544.db2.gz GFWUUDSXZLFIMN-VXGBXAGGSA-N 1 3 353.388 4.159 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422936963 1096528990 /nfs/dbraw/zinc/52/89/90/1096528990.db2.gz NJCTZPFMTPGZIA-CHWSQXEVSA-N 1 3 351.416 4.149 20 0 FIADHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000422934841 1096529276 /nfs/dbraw/zinc/52/92/76/1096529276.db2.gz KGOHPKOMXRNNIN-APWZRJJASA-N 1 3 367.320 4.426 20 0 FIADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@H](N)c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023100 1096547954 /nfs/dbraw/zinc/54/79/54/1096547954.db2.gz IXTGCFWORMLNGO-ZQEFQCJFSA-N 1 3 373.903 4.206 20 0 FIADHO CN1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023100 1096547959 /nfs/dbraw/zinc/54/79/59/1096547959.db2.gz IXTGCFWORMLNGO-ZQEFQCJFSA-N 1 3 373.903 4.206 20 0 FIADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423026702 1096554283 /nfs/dbraw/zinc/55/42/83/1096554283.db2.gz CACNADUFVBHXFL-MOPGFXCFSA-N 1 3 370.368 4.207 20 0 FIADHO CCCOc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000423066298 1096561879 /nfs/dbraw/zinc/56/18/79/1096561879.db2.gz DKISOPDDMPOEMF-GGAORHGYSA-N 1 3 366.505 4.129 20 0 FIADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000423115668 1096577991 /nfs/dbraw/zinc/57/79/91/1096577991.db2.gz YGUUZKOJTFJWEU-HSQRAOAYSA-N 1 3 358.570 4.352 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423122574 1096578633 /nfs/dbraw/zinc/57/86/33/1096578633.db2.gz KAOPENDUCRXMCZ-HOTGVXAUSA-N 1 3 362.477 4.448 20 0 FIADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423130110 1096580879 /nfs/dbraw/zinc/58/08/79/1096580879.db2.gz MIZCHZCUZFBLKG-TYPHKJRUSA-N 1 3 358.913 4.315 20 0 FIADHO Fc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144515 1096595610 /nfs/dbraw/zinc/59/56/10/1096595610.db2.gz HHKHVYQQFBOOJY-VWPQPMDRSA-N 1 3 352.453 4.049 20 0 FIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Br)c(F)c1 ZINC000423290668 1096635237 /nfs/dbraw/zinc/63/52/37/1096635237.db2.gz DZHXIHVMAVMLGV-NWDGAFQWSA-N 1 3 351.263 4.459 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000423294531 1096643316 /nfs/dbraw/zinc/64/33/16/1096643316.db2.gz UQMHCAGTXVKGDF-ZIAGYGMSSA-N 1 3 352.400 4.498 20 0 FIADHO CCCC[C@H](C[NH3+])N[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298608 1096644766 /nfs/dbraw/zinc/64/47/66/1096644766.db2.gz OTPPVXRSFRUNBR-QZTJIDSGSA-N 1 3 369.347 4.024 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CCNC[C@@H]2C)nc1 ZINC000423406256 1096673435 /nfs/dbraw/zinc/67/34/35/1096673435.db2.gz UMYLPTRRAHIGLJ-SSKFGXFMSA-N 1 3 371.956 4.039 20 0 FIADHO CSCC1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000423478546 1096696473 /nfs/dbraw/zinc/69/64/73/1096696473.db2.gz TXIIKRVRTGUPFA-DYENIDHDSA-N 1 3 350.547 4.030 20 0 FIADHO COc1ccccc1[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000423554578 1096721259 /nfs/dbraw/zinc/72/12/59/1096721259.db2.gz WWOAWLSFXQQAEY-QNFHRHJVSA-N 1 3 370.924 4.416 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436284722 1098887832 /nfs/dbraw/zinc/88/78/32/1098887832.db2.gz YVYMIQXMERRKIE-UHFFFAOYSA-N 1 3 369.484 4.317 20 0 FIADHO CCCO[C@@H]1CCCN(C[C@@H](C)C[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945045 /nfs/dbraw/zinc/94/50/45/1098945045.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 1 3 368.606 4.185 20 0 FIADHO CCCO[C@@H]1CCCN(C[C@@H](C)C[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945048 /nfs/dbraw/zinc/94/50/48/1098945048.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 1 3 368.606 4.185 20 0 FIADHO CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)CN2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945050 /nfs/dbraw/zinc/94/50/50/1098945050.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 1 3 368.606 4.185 20 0 FIADHO CCCO[C@@H]1CCC[N@H+](C[C@@H](C)CN2CCC[C@H](OCCC)CC2)CC1 ZINC000533280627 1098945053 /nfs/dbraw/zinc/94/50/53/1098945053.db2.gz LRGIUMLOLVNAOK-DKUWSORSSA-N 1 3 368.606 4.185 20 0 FIADHO Fc1cccc(-c2ccc(CNCCC[NH2+]Cc3cccnc3)s2)c1 ZINC000414887069 1099099534 /nfs/dbraw/zinc/09/95/34/1099099534.db2.gz WQMIZADSNBFLQG-UHFFFAOYSA-N 1 3 355.482 4.219 20 0 FIADHO COc1ccc([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162277323 1099671759 /nfs/dbraw/zinc/67/17/59/1099671759.db2.gz HTKAYFOLCTTZKV-HZPDHXFCSA-N 1 3 360.473 4.187 20 0 FIADHO CCOCc1ccccc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694350 1099826398 /nfs/dbraw/zinc/82/63/98/1099826398.db2.gz CPYNMDKYTMWMRC-UGKGYDQZSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694350 1099826422 /nfs/dbraw/zinc/82/64/22/1099826422.db2.gz CPYNMDKYTMWMRC-UGKGYDQZSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508694350 1099826433 /nfs/dbraw/zinc/82/64/33/1099826433.db2.gz CPYNMDKYTMWMRC-UGKGYDQZSA-N 1 3 352.522 4.223 20 0 FIADHO C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508714129 1099883645 /nfs/dbraw/zinc/88/36/45/1099883645.db2.gz URYPLNOZYSXPLR-RXVVDRJESA-N 1 3 365.521 4.013 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000162586106 1099900600 /nfs/dbraw/zinc/90/06/00/1099900600.db2.gz SFJCSDNEAPXJGK-HNNXBMFYSA-N 1 3 364.436 4.079 20 0 FIADHO CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000536673466 1100158355 /nfs/dbraw/zinc/15/83/55/1100158355.db2.gz UXKNESZSEICSPO-NRFANRHFSA-N 1 3 368.521 4.048 20 0 FIADHO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000536673466 1100158361 /nfs/dbraw/zinc/15/83/61/1100158361.db2.gz UXKNESZSEICSPO-NRFANRHFSA-N 1 3 368.521 4.048 20 0 FIADHO CCN(Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536709350 1100227924 /nfs/dbraw/zinc/22/79/24/1100227924.db2.gz BMPYGWYRGWKMGX-QHCPKHFHSA-N 1 3 374.532 4.216 20 0 FIADHO CCN(Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709350 1100227932 /nfs/dbraw/zinc/22/79/32/1100227932.db2.gz BMPYGWYRGWKMGX-QHCPKHFHSA-N 1 3 374.532 4.216 20 0 FIADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1C(C)(C)C ZINC000536833645 1100345298 /nfs/dbraw/zinc/34/52/98/1100345298.db2.gz NXXMHVPAVJEIEU-QGZVFWFLSA-N 1 3 355.526 4.170 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000414921849 1100417382 /nfs/dbraw/zinc/41/73/82/1100417382.db2.gz FAJSFYGOSPRUCQ-OUJCMCIWSA-N 1 3 361.533 4.146 20 0 FIADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000517786478 1100668542 /nfs/dbraw/zinc/66/85/42/1100668542.db2.gz YSOAZXIOJABPDP-INIZCTEOSA-N 1 3 374.475 4.129 20 0 FIADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439325024 1101347604 /nfs/dbraw/zinc/34/76/04/1101347604.db2.gz HRCGLBOUEZFNQV-GOSISDBHSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2cccc(Br)c2)CC1 ZINC000439325024 1101347620 /nfs/dbraw/zinc/34/76/20/1101347620.db2.gz HRCGLBOUEZFNQV-GOSISDBHSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2cccc(Br)c2)CC1 ZINC000439325024 1101347630 /nfs/dbraw/zinc/34/76/30/1101347630.db2.gz HRCGLBOUEZFNQV-GOSISDBHSA-N 1 3 351.332 4.113 20 0 FIADHO CC(C)[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000537012584 1101393564 /nfs/dbraw/zinc/39/35/64/1101393564.db2.gz XJSRFGSNIGZLAT-FQEVSTJZSA-N 1 3 361.917 4.162 20 0 FIADHO CCC[NH+]1CCC(NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000537060210 1101417001 /nfs/dbraw/zinc/41/70/01/1101417001.db2.gz SQGTXXQJQBWDLC-AWEZNQCLSA-N 1 3 371.388 4.394 20 0 FIADHO Cc1cccc(C)c1CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537191917 1101525597 /nfs/dbraw/zinc/52/55/97/1101525597.db2.gz GYWQNOBUXIEWPA-QFIPXVFZSA-N 1 3 364.533 4.424 20 0 FIADHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000648446706 1101706338 /nfs/dbraw/zinc/70/63/38/1101706338.db2.gz PQTKYSUARUHPTN-OALUTQOASA-N 1 3 350.934 4.099 20 0 FIADHO COc1ccccc1C(C)(C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000103171932 1102125050 /nfs/dbraw/zinc/12/50/50/1102125050.db2.gz NNRCPNXLBDEXTE-UHFFFAOYSA-N 1 3 368.521 4.195 20 0 FIADHO C[C@H]1C[C@H](NCCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000519476874 1102235018 /nfs/dbraw/zinc/23/50/18/1102235018.db2.gz DMUJFANWVNLOKF-PKOBYXMFSA-N 1 3 365.546 4.482 20 0 FIADHO C[C@H]1C[C@H](NCCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000519476874 1102235028 /nfs/dbraw/zinc/23/50/28/1102235028.db2.gz DMUJFANWVNLOKF-PKOBYXMFSA-N 1 3 365.546 4.482 20 0 FIADHO C[NH+](C)CCCC1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001168200018 1102364704 /nfs/dbraw/zinc/36/47/04/1102364704.db2.gz DOSWVKJYEBOMPK-SFHVURJKSA-N 1 3 359.341 4.081 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000532485508 1102426414 /nfs/dbraw/zinc/42/64/14/1102426414.db2.gz QLQCLTYVGHZPBN-YKSBVNFPSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485508 1102426421 /nfs/dbraw/zinc/42/64/21/1102426421.db2.gz QLQCLTYVGHZPBN-YKSBVNFPSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485508 1102426425 /nfs/dbraw/zinc/42/64/25/1102426425.db2.gz QLQCLTYVGHZPBN-YKSBVNFPSA-N 1 3 364.533 4.227 20 0 FIADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(CO)c1 ZINC000121812444 1102475251 /nfs/dbraw/zinc/47/52/51/1102475251.db2.gz AYEUNDSHXHNQHF-LJQANCHMSA-N 1 3 352.522 4.406 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccn1 ZINC000550885012 1102656245 /nfs/dbraw/zinc/65/62/45/1102656245.db2.gz BCHDUIVSWYMRGK-SFHVURJKSA-N 1 3 353.510 4.173 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889753 1102661218 /nfs/dbraw/zinc/66/12/18/1102661218.db2.gz CZSLAWDJDWZNAK-CEXWTWQISA-N 1 3 367.537 4.419 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889753 1102661224 /nfs/dbraw/zinc/66/12/24/1102661224.db2.gz CZSLAWDJDWZNAK-CEXWTWQISA-N 1 3 367.537 4.419 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263040 1102883703 /nfs/dbraw/zinc/88/37/03/1102883703.db2.gz TXJDBJUKPQNNND-BAGYTPMASA-N 1 3 356.554 4.084 20 0 FIADHO Cc1ccc2nc(CNCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246035 1103000875 /nfs/dbraw/zinc/00/08/75/1103000875.db2.gz PUUSGNMGPZUZDC-CTNGQTDRSA-N 1 3 362.521 4.033 20 0 FIADHO Cc1ccc2nc(CNCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246035 1103000887 /nfs/dbraw/zinc/00/08/87/1103000887.db2.gz PUUSGNMGPZUZDC-CTNGQTDRSA-N 1 3 362.521 4.033 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CC[C@@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265621 1103024020 /nfs/dbraw/zinc/02/40/20/1103024020.db2.gz WZSJKWBFFVXCFF-ZRBLBEILSA-N 1 3 368.565 4.084 20 0 FIADHO CC[NH+]1CCC(CNCc2c(Cl)n(-c3ccccc3)nc2C(C)C)CC1 ZINC000729682373 1103035669 /nfs/dbraw/zinc/03/56/69/1103035669.db2.gz UMMLHZRGYNIOTO-UHFFFAOYSA-N 1 3 374.960 4.471 20 0 FIADHO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507459371 1103404770 /nfs/dbraw/zinc/40/47/70/1103404770.db2.gz FUGPYZVKESFTKZ-ODGPQVTHSA-N 1 3 359.517 4.211 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H]1COc2ccccc21 ZINC000507485312 1103433439 /nfs/dbraw/zinc/43/34/39/1103433439.db2.gz LKOTXXATFBUPDU-FOGFPEBHSA-N 1 3 362.517 4.051 20 0 FIADHO COc1ccc(C2([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)CC2)cc1 ZINC000507519399 1103443772 /nfs/dbraw/zinc/44/37/72/1103443772.db2.gz IEXYWXKDJFBEKV-UEVCKROQSA-N 1 3 362.517 4.185 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000551812612 1103693321 /nfs/dbraw/zinc/69/33/21/1103693321.db2.gz NYKCMFURBCRZBA-JOCHJYFZSA-N 1 3 354.469 4.076 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000187996545 1103733118 /nfs/dbraw/zinc/73/31/18/1103733118.db2.gz SMNVHPMCUHJNRA-IAGOWNOFSA-N 1 3 356.407 4.093 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000187996545 1103733131 /nfs/dbraw/zinc/73/31/31/1103733131.db2.gz SMNVHPMCUHJNRA-IAGOWNOFSA-N 1 3 356.407 4.093 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000187996572 1103734161 /nfs/dbraw/zinc/73/41/61/1103734161.db2.gz SMNVHPMCUHJNRA-DLBZAZTESA-N 1 3 356.407 4.093 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000187996572 1103734178 /nfs/dbraw/zinc/73/41/78/1103734178.db2.gz SMNVHPMCUHJNRA-DLBZAZTESA-N 1 3 356.407 4.093 20 0 FIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)C1 ZINC000537963319 1104450586 /nfs/dbraw/zinc/45/05/86/1104450586.db2.gz HTBSKINLGKUBDO-YZGWKJHDSA-N 1 3 366.615 4.064 20 0 FIADHO c1nn(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c2ccccc12 ZINC001167994755 1104484243 /nfs/dbraw/zinc/48/42/43/1104484243.db2.gz NHYWVWSNPCUNRK-CBQGHPETSA-N 1 3 364.537 4.079 20 0 FIADHO c1nn(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c2ccccc12 ZINC001167994755 1104484249 /nfs/dbraw/zinc/48/42/49/1104484249.db2.gz NHYWVWSNPCUNRK-CBQGHPETSA-N 1 3 364.537 4.079 20 0 FIADHO c1nn(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c2ccccc12 ZINC001167994755 1104484258 /nfs/dbraw/zinc/48/42/58/1104484258.db2.gz NHYWVWSNPCUNRK-CBQGHPETSA-N 1 3 364.537 4.079 20 0 FIADHO C[NH+]1CCC(NCc2ccc(-c3ccccc3Br)s2)CC1 ZINC000237169391 1104787855 /nfs/dbraw/zinc/78/78/55/1104787855.db2.gz LRKDRDQIXVMDHH-UHFFFAOYSA-N 1 3 365.340 4.361 20 0 FIADHO N[C@@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c2ccccc21 ZINC000530209556 1106913391 /nfs/dbraw/zinc/91/33/91/1106913391.db2.gz IQJYJOGXNSFYNN-UXHICEINSA-N 1 3 366.509 4.127 20 0 FIADHO CC(=O)c1cccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000451066063 1106917471 /nfs/dbraw/zinc/91/74/71/1106917471.db2.gz MOOVFAIJEUPXTH-UHFFFAOYSA-N 1 3 362.517 4.377 20 0 FIADHO C[C@H](CN1CCC[C@@]2(CCSC2)C1)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980250 1107410707 /nfs/dbraw/zinc/41/07/07/1107410707.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 1 3 368.656 4.061 20 0 FIADHO C[C@H](CN1CCC[C@@]2(CCSC2)C1)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980250 1107410717 /nfs/dbraw/zinc/41/07/17/1107410717.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 1 3 368.656 4.061 20 0 FIADHO C[C@@H](CN1CCC[C@]2(CCSC2)C1)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980250 1107410721 /nfs/dbraw/zinc/41/07/21/1107410721.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 1 3 368.656 4.061 20 0 FIADHO C[C@@H](CN1CCC[C@]2(CCSC2)C1)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980250 1107410725 /nfs/dbraw/zinc/41/07/25/1107410725.db2.gz QXCVPTKGQGGVFZ-OWZKRDHZSA-N 1 3 368.656 4.061 20 0 FIADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152444068 1107650895 /nfs/dbraw/zinc/65/08/95/1107650895.db2.gz LYQDGBCZYMSWEW-QAPCUYQASA-N 1 3 355.551 4.177 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000179106688 1107874590 /nfs/dbraw/zinc/87/45/90/1107874590.db2.gz GDNBFHWUXCPSOH-INIZCTEOSA-N 1 3 361.917 4.306 20 0 FIADHO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000531707113 1108085663 /nfs/dbraw/zinc/08/56/63/1108085663.db2.gz ZPJDGOIDLNDVSM-QWQRMKEZSA-N 1 3 358.448 4.311 20 0 FIADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2sccc21 ZINC000453059813 1108136856 /nfs/dbraw/zinc/13/68/56/1108136856.db2.gz AHRGJRBXELXSRI-DYESRHJHSA-N 1 3 369.578 4.224 20 0 FIADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2sccc21 ZINC000453122987 1108190276 /nfs/dbraw/zinc/19/02/76/1108190276.db2.gz FLOUBWVQRUGDRX-IIBYNOLFSA-N 1 3 370.562 4.433 20 0 FIADHO C[C@@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2sccc21 ZINC000453122987 1108190285 /nfs/dbraw/zinc/19/02/85/1108190285.db2.gz FLOUBWVQRUGDRX-IIBYNOLFSA-N 1 3 370.562 4.433 20 0 FIADHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453127597 1108205753 /nfs/dbraw/zinc/20/57/53/1108205753.db2.gz PPGBOQLOEPGLFB-ZRBLBEILSA-N 1 3 366.553 4.005 20 0 FIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375628 1108493287 /nfs/dbraw/zinc/49/32/87/1108493287.db2.gz XYUFOVXBZZLOOD-ZPGBFPTHSA-N 1 3 357.325 4.364 20 0 FIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375628 1108493295 /nfs/dbraw/zinc/49/32/95/1108493295.db2.gz XYUFOVXBZZLOOD-ZPGBFPTHSA-N 1 3 357.325 4.364 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000532210719 1108712611 /nfs/dbraw/zinc/71/26/11/1108712611.db2.gz MUIDJHWWHGKEBL-QGZVFWFLSA-N 1 3 365.521 4.264 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000525490154 1109400642 /nfs/dbraw/zinc/40/06/42/1109400642.db2.gz GXNCYBSPTXDQNF-SFHVURJKSA-N 1 3 365.521 4.375 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000525490154 1109400647 /nfs/dbraw/zinc/40/06/47/1109400647.db2.gz GXNCYBSPTXDQNF-SFHVURJKSA-N 1 3 365.521 4.375 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000447587041 1109587351 /nfs/dbraw/zinc/58/73/51/1109587351.db2.gz PYENBPMAUKTDRD-AOIWGVFYSA-N 1 3 370.493 4.018 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587041 1109587356 /nfs/dbraw/zinc/58/73/56/1109587356.db2.gz PYENBPMAUKTDRD-AOIWGVFYSA-N 1 3 370.493 4.018 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000508605167 1109605644 /nfs/dbraw/zinc/60/56/44/1109605644.db2.gz RXVRMVURJYRYFV-QRVBRYPASA-N 1 3 357.542 4.118 20 0 FIADHO CC(C)(C)c1cnc(CNCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000447943051 1109677662 /nfs/dbraw/zinc/67/76/62/1109677662.db2.gz WPAZGHDNAIKCTL-UHFFFAOYSA-N 1 3 357.567 4.442 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000527298595 1109735225 /nfs/dbraw/zinc/73/52/25/1109735225.db2.gz PIMPSLYCXXGGES-CTNGQTDRSA-N 1 3 364.599 4.122 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000527298595 1109735227 /nfs/dbraw/zinc/73/52/27/1109735227.db2.gz PIMPSLYCXXGGES-CTNGQTDRSA-N 1 3 364.599 4.122 20 0 FIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc(F)c(Br)cc1F ZINC000527900186 1109857455 /nfs/dbraw/zinc/85/74/55/1109857455.db2.gz XNQBQGIITGQQDB-NSHDSACASA-N 1 3 373.285 4.252 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180884 1109993528 /nfs/dbraw/zinc/99/35/28/1109993528.db2.gz CUBKMISBFRGAPL-MOJGAOKDSA-N 1 3 366.553 4.244 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343624 1110035100 /nfs/dbraw/zinc/03/51/00/1110035100.db2.gz LXEBUXIIVXIMIV-FCHUYYIVSA-N 1 3 368.565 4.228 20 0 FIADHO Cc1noc(C)c1CN1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413880 1110056094 /nfs/dbraw/zinc/05/60/94/1110056094.db2.gz KMEOUSCMYXOVCF-QFIPXVFZSA-N 1 3 367.537 4.414 20 0 FIADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026304075 1110095118 /nfs/dbraw/zinc/09/51/18/1110095118.db2.gz ASHPDWLPWKJRKC-UHFFFAOYSA-N 1 3 362.521 4.217 20 0 FIADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCOC2)CC1 ZINC000450610047 1110319535 /nfs/dbraw/zinc/31/95/35/1110319535.db2.gz GHLKXUMPVITFOY-MRXNPFEDSA-N 1 3 370.459 4.028 20 0 FIADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCOC2)CC1 ZINC000450610047 1110319537 /nfs/dbraw/zinc/31/95/37/1110319537.db2.gz GHLKXUMPVITFOY-MRXNPFEDSA-N 1 3 370.459 4.028 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060183 1111406535 /nfs/dbraw/zinc/40/65/35/1111406535.db2.gz PZAVOMHUYCQTJP-JBBXEZCESA-N 1 3 357.325 4.022 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477950937 1111611738 /nfs/dbraw/zinc/61/17/38/1111611738.db2.gz VBDXZJTYVXSOGN-GOSISDBHSA-N 1 3 374.573 4.333 20 0 FIADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000552224170 1111623463 /nfs/dbraw/zinc/62/34/63/1111623463.db2.gz LVYRVQNTIGRCPE-AUSIDOKSSA-N 1 3 367.537 4.086 20 0 FIADHO FC(F)(F)Oc1cccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000552224314 1111624195 /nfs/dbraw/zinc/62/41/95/1111624195.db2.gz SPQWFENRFPKGPB-ACJLOTCBSA-N 1 3 354.416 4.110 20 0 FIADHO FC(F)(F)Oc1cccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224314 1111624196 /nfs/dbraw/zinc/62/41/96/1111624196.db2.gz SPQWFENRFPKGPB-ACJLOTCBSA-N 1 3 354.416 4.110 20 0 FIADHO Fc1ccc([C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2cnc3ccccc3c2)cc1 ZINC000643536996 1111774271 /nfs/dbraw/zinc/77/42/71/1111774271.db2.gz XUDOVRQUSCAYMV-FGZHOGPDSA-N 1 3 361.464 4.195 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000479463558 1112033617 /nfs/dbraw/zinc/03/36/17/1112033617.db2.gz IPRVUYDLNSKAJR-PKOBYXMFSA-N 1 3 355.501 4.064 20 0 FIADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCS2 ZINC000479466313 1112041649 /nfs/dbraw/zinc/04/16/49/1112041649.db2.gz RLQLWBDPXIQRPN-FXAWDEMLSA-N 1 3 356.510 4.474 20 0 FIADHO CC(C)Oc1ccc([C@H](CNC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000554086032 1112197903 /nfs/dbraw/zinc/19/79/03/1112197903.db2.gz SIXDPXUHIUPNGJ-QHCPKHFHSA-N 1 3 373.585 4.073 20 0 FIADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000480148051 1112302435 /nfs/dbraw/zinc/30/24/35/1112302435.db2.gz PQIWXWQFOQNZJG-URXFXBBRSA-N 1 3 365.565 4.009 20 0 FIADHO COc1cc(C)c([C@H](C)NCCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000480277624 1112370509 /nfs/dbraw/zinc/37/05/09/1112370509.db2.gz KXEPWGYQCRODMM-SFHVURJKSA-N 1 3 368.521 4.111 20 0 FIADHO COc1cc(C)c([C@H](C)NCCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000480277624 1112370514 /nfs/dbraw/zinc/37/05/14/1112370514.db2.gz KXEPWGYQCRODMM-SFHVURJKSA-N 1 3 368.521 4.111 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000480604875 1112505265 /nfs/dbraw/zinc/50/52/65/1112505265.db2.gz GCOFDOOYFDFTKW-CVEARBPZSA-N 1 3 352.494 4.148 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000480604875 1112505269 /nfs/dbraw/zinc/50/52/69/1112505269.db2.gz GCOFDOOYFDFTKW-CVEARBPZSA-N 1 3 352.494 4.148 20 0 FIADHO Cc1cc(C)c2c(c1)[C@H](NCc1cccc(OCC[NH+](C)C)c1)CCCO2 ZINC000481327490 1112901506 /nfs/dbraw/zinc/90/15/06/1112901506.db2.gz INEYAQIJBLOSJP-JOCHJYFZSA-N 1 3 368.521 4.247 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000481947675 1113142377 /nfs/dbraw/zinc/14/23/77/1113142377.db2.gz NFGVAJLGMKAEGI-OYDLWJJNSA-N 1 3 365.565 4.098 20 0 FIADHO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000162911426 1113225284 /nfs/dbraw/zinc/22/52/84/1113225284.db2.gz CYUKORWOOPFWJS-NRFANRHFSA-N 1 3 366.505 4.295 20 0 FIADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CCCO2 ZINC000482438994 1113259967 /nfs/dbraw/zinc/25/99/67/1113259967.db2.gz NWLQIUWJEUXNBY-FYYLOGMGSA-N 1 3 364.533 4.363 20 0 FIADHO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486489871 1113577160 /nfs/dbraw/zinc/57/71/60/1113577160.db2.gz PFPCJMJRTUMCPP-XXBNENTESA-N 1 3 374.532 4.087 20 0 FIADHO C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486489871 1113577165 /nfs/dbraw/zinc/57/71/65/1113577165.db2.gz PFPCJMJRTUMCPP-XXBNENTESA-N 1 3 374.532 4.087 20 0 FIADHO C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489871 1113577172 /nfs/dbraw/zinc/57/71/72/1113577172.db2.gz PFPCJMJRTUMCPP-XXBNENTESA-N 1 3 374.532 4.087 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000486717114 1113628239 /nfs/dbraw/zinc/62/82/39/1113628239.db2.gz MZQHMMYSCUNQFB-UZLBHIALSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717114 1113628242 /nfs/dbraw/zinc/62/82/42/1113628242.db2.gz MZQHMMYSCUNQFB-UZLBHIALSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@H]1C[NH+](CCC2CCN(Cc3cc4ccc(F)cc4[nH]3)CC2)C[C@H](C)O1 ZINC000488349226 1113913279 /nfs/dbraw/zinc/91/32/79/1113913279.db2.gz BXHRHWCMKXUNHX-IRXDYDNUSA-N 1 3 373.516 4.018 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]C(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000490119564 1114220082 /nfs/dbraw/zinc/22/00/82/1114220082.db2.gz PPKATMZVIMIVIF-PMACEKPBSA-N 1 3 352.522 4.255 20 0 FIADHO C[C@H]1CN(Cc2ccc(C3CCCCC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490961372 1114356215 /nfs/dbraw/zinc/35/62/15/1114356215.db2.gz BRHDVZLQKYXIAV-GBXCKJPGSA-N 1 3 369.597 4.192 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641843 1114819876 /nfs/dbraw/zinc/81/98/76/1114819876.db2.gz QKRNCHBBTYRXJQ-QZTJIDSGSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641843 1114819891 /nfs/dbraw/zinc/81/98/91/1114819891.db2.gz QKRNCHBBTYRXJQ-QZTJIDSGSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)C1 ZINC000760908702 1115170352 /nfs/dbraw/zinc/17/03/52/1115170352.db2.gz QJCPUEOEEOVRHB-BXDDPRONSA-N 1 3 370.581 4.450 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1CN1CCCCC1 ZINC000157768155 1115293535 /nfs/dbraw/zinc/29/35/35/1115293535.db2.gz ABXCCODDBOCTJK-LXBDKUERSA-N 1 3 372.553 4.289 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000669614552 1115667783 /nfs/dbraw/zinc/66/77/83/1115667783.db2.gz YLSRVWJVXMPCTO-OFNKIYASSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614552 1115667785 /nfs/dbraw/zinc/66/77/85/1115667785.db2.gz YLSRVWJVXMPCTO-OFNKIYASSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000669614552 1115667786 /nfs/dbraw/zinc/66/77/86/1115667786.db2.gz YLSRVWJVXMPCTO-OFNKIYASSA-N 1 3 364.533 4.227 20 0 FIADHO CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000539838255 1116386750 /nfs/dbraw/zinc/38/67/50/1116386750.db2.gz MWFBAKPKUZTLLJ-RDJZCZTQSA-N 1 3 368.949 4.442 20 0 FIADHO CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000539838255 1116386752 /nfs/dbraw/zinc/38/67/52/1116386752.db2.gz MWFBAKPKUZTLLJ-RDJZCZTQSA-N 1 3 368.949 4.442 20 0 FIADHO Fc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000462801313 1117785142 /nfs/dbraw/zinc/78/51/42/1117785142.db2.gz BYUTYXTZNLYIBP-SFHVURJKSA-N 1 3 359.533 4.039 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000540170499 1117912752 /nfs/dbraw/zinc/91/27/52/1117912752.db2.gz ITRZJMXBZFVSLQ-OWCLPIDISA-N 1 3 358.448 4.245 20 0 FIADHO Cc1nc2ccccc2n1CCCCC[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000463093295 1117963007 /nfs/dbraw/zinc/96/30/07/1117963007.db2.gz NZQMXPCTVMGLGJ-UHFFFAOYSA-N 1 3 368.569 4.465 20 0 FIADHO Cc1nc2ccccc2n1CCCCC[N@H+]1CCCN(C2CCCC2)CC1 ZINC000463093295 1117963009 /nfs/dbraw/zinc/96/30/09/1117963009.db2.gz NZQMXPCTVMGLGJ-UHFFFAOYSA-N 1 3 368.569 4.465 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)CCN1Cc1ccccc1 ZINC000463137723 1117986100 /nfs/dbraw/zinc/98/61/00/1117986100.db2.gz MPAHNAJJIMJDTC-LEOXJPRUSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccc(F)c2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137723 1117986102 /nfs/dbraw/zinc/98/61/02/1117986102.db2.gz MPAHNAJJIMJDTC-LEOXJPRUSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccc(F)c2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137723 1117986106 /nfs/dbraw/zinc/98/61/06/1117986106.db2.gz MPAHNAJJIMJDTC-LEOXJPRUSA-N 1 3 369.528 4.071 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188881 1118007617 /nfs/dbraw/zinc/00/76/17/1118007617.db2.gz FKRDNPSABDVSFQ-OFNKIYASSA-N 1 3 374.532 4.323 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188881 1118007626 /nfs/dbraw/zinc/00/76/26/1118007626.db2.gz FKRDNPSABDVSFQ-OFNKIYASSA-N 1 3 374.532 4.323 20 0 FIADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540475539 1118077803 /nfs/dbraw/zinc/07/78/03/1118077803.db2.gz NUQIKHOWSDQYTG-NRSPTQNISA-N 1 3 372.553 4.160 20 0 FIADHO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464831350 1118715477 /nfs/dbraw/zinc/71/54/77/1118715477.db2.gz ACKVFBHQBXBGMZ-IBGZPJMESA-N 1 3 358.913 4.173 20 0 FIADHO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464831350 1118715482 /nfs/dbraw/zinc/71/54/82/1118715482.db2.gz ACKVFBHQBXBGMZ-IBGZPJMESA-N 1 3 358.913 4.173 20 0 FIADHO CSc1ccc(OCC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464846976 1118720301 /nfs/dbraw/zinc/72/03/01/1118720301.db2.gz KQOIMBOJSCMWCS-FQEVSTJZSA-N 1 3 370.562 4.241 20 0 FIADHO CSc1ccc(OCC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464846976 1118720304 /nfs/dbraw/zinc/72/03/04/1118720304.db2.gz KQOIMBOJSCMWCS-FQEVSTJZSA-N 1 3 370.562 4.241 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442472 1119040850 /nfs/dbraw/zinc/04/08/50/1119040850.db2.gz FGIXZWGISZVWON-WJPUGNRLSA-N 1 3 374.550 4.499 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442472 1119040854 /nfs/dbraw/zinc/04/08/54/1119040854.db2.gz FGIXZWGISZVWON-WJPUGNRLSA-N 1 3 374.550 4.499 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000311493617 1119377019 /nfs/dbraw/zinc/37/70/19/1119377019.db2.gz KDEPGAVFBZOWDW-AUSIDOKSSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493617 1119377025 /nfs/dbraw/zinc/37/70/25/1119377025.db2.gz KDEPGAVFBZOWDW-AUSIDOKSSA-N 1 3 350.506 4.184 20 0 FIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493923714 1119509941 /nfs/dbraw/zinc/50/99/41/1119509941.db2.gz DKJNDPWZBOCARB-ZLGJRNTRSA-N 1 3 351.332 4.158 20 0 FIADHO Cc1nc2ccc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc2s1 ZINC000494340294 1119828153 /nfs/dbraw/zinc/82/81/53/1119828153.db2.gz RYNKNIUUVPHUBI-HXUWFJFHSA-N 1 3 365.546 4.259 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000191460575 1119978224 /nfs/dbraw/zinc/97/82/24/1119978224.db2.gz MBYHUTSWQHLPDB-DEOSSOPVSA-N 1 3 365.565 4.393 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000191460575 1119978225 /nfs/dbraw/zinc/97/82/25/1119978225.db2.gz MBYHUTSWQHLPDB-DEOSSOPVSA-N 1 3 365.565 4.393 20 0 FIADHO Cc1ccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C2CCC2)cc1 ZINC000250099359 1120475225 /nfs/dbraw/zinc/47/52/25/1120475225.db2.gz REHGVGJTALBYSB-YTFSRNRJSA-N 1 3 356.554 4.194 20 0 FIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-n2ccnc2)cc1 ZINC000495431938 1120817464 /nfs/dbraw/zinc/81/74/64/1120817464.db2.gz GALCVQMOGDVRFX-JTAQYXEDSA-N 1 3 374.532 4.434 20 0 FIADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C3CCCC3)CC2)c1 ZINC000915229800 1120889131 /nfs/dbraw/zinc/88/91/31/1120889131.db2.gz SFYWSIFCHHMWBO-UHFFFAOYSA-N 1 3 369.475 4.140 20 0 FIADHO COc1ccc([C@@H]2C[C@H](N[C@@H](CC[NH+](C)C)c3ccccc3)CCO2)cc1 ZINC001168585273 1121518526 /nfs/dbraw/zinc/51/85/26/1121518526.db2.gz GYWROEFWBTWCPT-PUHATCMVSA-N 1 3 368.521 4.198 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000123908077 1121644643 /nfs/dbraw/zinc/64/46/43/1121644643.db2.gz UFXAFWUESLENKC-QGZVFWFLSA-N 1 3 356.510 4.315 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000123908077 1121644651 /nfs/dbraw/zinc/64/46/51/1121644651.db2.gz UFXAFWUESLENKC-QGZVFWFLSA-N 1 3 356.510 4.315 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671741769 1121646935 /nfs/dbraw/zinc/64/69/35/1121646935.db2.gz XVUUCYWYBUKCME-HNNXBMFYSA-N 1 3 353.466 4.226 20 0 FIADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593539 1121710357 /nfs/dbraw/zinc/71/03/57/1121710357.db2.gz LHHILKRBXDCPTO-YADHBBJMSA-N 1 3 354.538 4.246 20 0 FIADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC001168593539 1121710359 /nfs/dbraw/zinc/71/03/59/1121710359.db2.gz LHHILKRBXDCPTO-YADHBBJMSA-N 1 3 354.538 4.246 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000671761457 1121790658 /nfs/dbraw/zinc/79/06/58/1121790658.db2.gz VDZKCPJRRYHFBK-AFXVXQJMSA-N 1 3 368.565 4.084 20 0 FIADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1Br ZINC000125724435 1121816333 /nfs/dbraw/zinc/81/63/33/1121816333.db2.gz JUKPZXDQHUNNHO-LSDHHAIUSA-N 1 3 369.347 4.229 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCO2)cc1 ZINC001168611645 1122009138 /nfs/dbraw/zinc/00/91/38/1122009138.db2.gz WJOYKVYUNLVRHQ-XLIONFOSSA-N 1 3 360.542 4.156 20 0 FIADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148474 1122196763 /nfs/dbraw/zinc/19/67/63/1122196763.db2.gz MMROEJMQVDPKEK-FUHWJXTLSA-N 1 3 374.916 4.054 20 0 FIADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000128148474 1122196765 /nfs/dbraw/zinc/19/67/65/1122196765.db2.gz MMROEJMQVDPKEK-FUHWJXTLSA-N 1 3 374.916 4.054 20 0 FIADHO CN1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000129476071 1122611127 /nfs/dbraw/zinc/61/11/27/1122611127.db2.gz USSXHEKNCDBXNQ-LLVKDONJSA-N 1 3 354.338 4.156 20 0 FIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H]2CCC[C@@H]21 ZINC000556870151 1123151817 /nfs/dbraw/zinc/15/18/17/1123151817.db2.gz DAOWEFUOAKGFJA-YRXWBPOGSA-N 1 3 350.453 4.128 20 0 FIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@H]2CCC[C@@H]21 ZINC000556870151 1123151818 /nfs/dbraw/zinc/15/18/18/1123151818.db2.gz DAOWEFUOAKGFJA-YRXWBPOGSA-N 1 3 350.453 4.128 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000556890430 1123176599 /nfs/dbraw/zinc/17/65/99/1123176599.db2.gz LKHDNBQLJQVCJZ-FMTHBJFDSA-N 1 3 370.581 4.472 20 0 FIADHO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556891905 1123179627 /nfs/dbraw/zinc/17/96/27/1123179627.db2.gz HHVRNECLRFAXGC-DNVJHFABSA-N 1 3 358.570 4.472 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4(c5ccccn5)CCC4)[C@@H]3C2)cc1 ZINC000556925575 1123226354 /nfs/dbraw/zinc/22/63/54/1123226354.db2.gz VGDWAZLWPUJYIH-BHDDXSALSA-N 1 3 361.533 4.004 20 0 FIADHO C[C@@H](N[C@H]1CCCOc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000133466116 1123489795 /nfs/dbraw/zinc/48/97/95/1123489795.db2.gz USXJYDMYFNPYRR-UTKZUKDTSA-N 1 3 354.494 4.192 20 0 FIADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(-c2ccccc2Cl)o1 ZINC000237046883 1123591733 /nfs/dbraw/zinc/59/17/33/1123591733.db2.gz NJKGUVHBTHJYFV-HNNXBMFYSA-N 1 3 350.890 4.046 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(CO)c1 ZINC000245549866 1124118026 /nfs/dbraw/zinc/11/80/26/1124118026.db2.gz GYZATURYCFVEKU-RTBURBONSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(CO)c1 ZINC000245549866 1124118027 /nfs/dbraw/zinc/11/80/27/1124118027.db2.gz GYZATURYCFVEKU-RTBURBONSA-N 1 3 352.522 4.262 20 0 FIADHO COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000245750861 1124239021 /nfs/dbraw/zinc/23/90/21/1124239021.db2.gz UBMYHFBZHNPFMH-GPJHCHHRSA-N 1 3 350.506 4.159 20 0 FIADHO CC[N@@H+]1CC[C@@H](NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246316855 1124443345 /nfs/dbraw/zinc/44/33/45/1124443345.db2.gz FAEZXDOOQXNMOI-KBXCAEBGSA-N 1 3 363.958 4.326 20 0 FIADHO CC[N@H+]1CC[C@@H](NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246316855 1124443364 /nfs/dbraw/zinc/44/33/64/1124443364.db2.gz FAEZXDOOQXNMOI-KBXCAEBGSA-N 1 3 363.958 4.326 20 0 FIADHO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccs1 ZINC000246541129 1124527621 /nfs/dbraw/zinc/52/76/21/1124527621.db2.gz VXFZUAIGDOGFTA-GBESFXJTSA-N 1 3 350.572 4.193 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1Br ZINC000246976176 1124578066 /nfs/dbraw/zinc/57/80/66/1124578066.db2.gz JUKPZXDQHUNNHO-HUUCEWRRSA-N 1 3 369.347 4.229 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152681 1124747707 /nfs/dbraw/zinc/74/77/07/1124747707.db2.gz QXOKNLLGGJDSOO-DKICVRJWSA-N 1 3 358.507 4.211 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152681 1124747712 /nfs/dbraw/zinc/74/77/12/1124747712.db2.gz QXOKNLLGGJDSOO-DKICVRJWSA-N 1 3 358.507 4.211 20 0 FIADHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000076109725 1124959733 /nfs/dbraw/zinc/95/97/33/1124959733.db2.gz CMRXNWRXYCMKHP-HXUWFJFHSA-N 1 3 370.562 4.371 20 0 FIADHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000076109725 1124959735 /nfs/dbraw/zinc/95/97/35/1124959735.db2.gz CMRXNWRXYCMKHP-HXUWFJFHSA-N 1 3 370.562 4.371 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000672619106 1125195916 /nfs/dbraw/zinc/19/59/16/1125195916.db2.gz IOBFRPLVQVSKPP-PLMTUMEDSA-N 1 3 364.961 4.049 20 0 FIADHO COc1ccc(C2(NCc3ccc(OCC[NH+](C)C)cc3)CCCC2)cc1 ZINC000604765537 568361886 /nfs/dbraw/zinc/36/18/86/568361886.db2.gz SIJRNKBPCZXFFX-UHFFFAOYSA-N 1 3 368.521 4.195 20 0 FIADHO Cc1cc2[nH]ccc2c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164995521 722202058 /nfs/dbraw/zinc/20/20/58/722202058.db2.gz NYCROGQOYDDIRW-JOCHJYFZSA-N 1 3 364.468 4.255 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)ccc1OC ZINC000182574612 1125572987 /nfs/dbraw/zinc/57/29/87/1125572987.db2.gz KSYDHQWNRWIWNX-QZTJIDSGSA-N 1 3 370.537 4.441 20 0 FIADHO CC(C)N1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2)CC1 ZINC001167284310 1080998158 /nfs/dbraw/zinc/99/81/58/1080998158.db2.gz UWJHLGKKATUZIY-UHFFFAOYSA-N 1 3 359.739 4.407 20 0 FIADHO CC(C)N1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2)CC1 ZINC001167284310 1080998163 /nfs/dbraw/zinc/99/81/63/1080998163.db2.gz UWJHLGKKATUZIY-UHFFFAOYSA-N 1 3 359.739 4.407 20 0 FIADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)CC2 ZINC000655719416 1081137933 /nfs/dbraw/zinc/13/79/33/1081137933.db2.gz SSOLZSGTNWGYOQ-HSZRJFAPSA-N 1 3 364.533 4.037 20 0 FIADHO Cc1cc2c(c(C)c1)[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000655719416 1081137936 /nfs/dbraw/zinc/13/79/36/1081137936.db2.gz SSOLZSGTNWGYOQ-HSZRJFAPSA-N 1 3 364.533 4.037 20 0 FIADHO COc1ccc([C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2Cl)cc1 ZINC000655804910 1081211461 /nfs/dbraw/zinc/21/14/61/1081211461.db2.gz FWMMZQZVRRXNIZ-LDBYXDLTSA-N 1 3 358.913 4.368 20 0 FIADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc(CO)c1 ZINC000121235921 1081241082 /nfs/dbraw/zinc/24/10/82/1081241082.db2.gz AEDTZSVKENXPTR-LJQANCHMSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC3(CCCC3)O2)CC1 ZINC000655851243 1081260288 /nfs/dbraw/zinc/26/02/88/1081260288.db2.gz CPDTVCHVGUKXQV-DENIHFKCSA-N 1 3 356.554 4.163 20 0 FIADHO C[C@H]1CCCC[C@@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001648830265 1081267624 /nfs/dbraw/zinc/26/76/24/1081267624.db2.gz NGAQJSWSWHNSGT-JTHBVZDNSA-N 1 3 357.586 4.000 20 0 FIADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC001648898389 1081355180 /nfs/dbraw/zinc/35/51/80/1081355180.db2.gz MVCNHOMQZPYUPP-IBGZPJMESA-N 1 3 369.528 4.079 20 0 FIADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000580095126 1081589001 /nfs/dbraw/zinc/58/90/01/1081589001.db2.gz IXNWSZLXPVXFGV-NJYVYQBISA-N 1 3 358.913 4.457 20 0 FIADHO C[NH+]1CCC(CCO)(NCc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000581498845 1082621761 /nfs/dbraw/zinc/62/17/61/1082621761.db2.gz LKRDZVALCPUGSQ-UHFFFAOYSA-N 1 3 364.942 4.005 20 0 FIADHO CO[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000684378132 1082793786 /nfs/dbraw/zinc/79/37/86/1082793786.db2.gz ZBNCPVHJRHBYKW-OALUTQOASA-N 1 3 350.934 4.099 20 0 FIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccccc2OC(F)F)CC1 ZINC000471764511 1082961063 /nfs/dbraw/zinc/96/10/63/1082961063.db2.gz YHJOXLNJVLOMIF-LPHOPBHVSA-N 1 3 366.496 4.463 20 0 FIADHO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253550 1083367667 /nfs/dbraw/zinc/36/76/67/1083367667.db2.gz FZBFSQDMFIJSQN-SFHVURJKSA-N 1 3 368.521 4.144 20 0 FIADHO COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000092253550 1083367681 /nfs/dbraw/zinc/36/76/81/1083367681.db2.gz FZBFSQDMFIJSQN-SFHVURJKSA-N 1 3 368.521 4.144 20 0 FIADHO CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000548483604 1083466513 /nfs/dbraw/zinc/46/65/13/1083466513.db2.gz VLXBSXCSTKXHLL-XLIONFOSSA-N 1 3 356.485 4.225 20 0 FIADHO c1[nH]nc2c1cccc2C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000535808496 1083693481 /nfs/dbraw/zinc/69/34/81/1083693481.db2.gz IKYBXVNTYPRJTK-RBBKRZOGSA-N 1 3 360.505 4.049 20 0 FIADHO c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000535808496 1083693486 /nfs/dbraw/zinc/69/34/86/1083693486.db2.gz IKYBXVNTYPRJTK-RBBKRZOGSA-N 1 3 360.505 4.049 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@@]1(C)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000382384493 1084148971 /nfs/dbraw/zinc/14/89/71/1084148971.db2.gz SDBDFIMOLWISRV-XZOQPEGZSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@@]1(C)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000382384493 1084148982 /nfs/dbraw/zinc/14/89/82/1084148982.db2.gz SDBDFIMOLWISRV-XZOQPEGZSA-N 1 3 350.506 4.184 20 0 FIADHO Cc1ccc2cc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000657356250 1084706586 /nfs/dbraw/zinc/70/65/86/1084706586.db2.gz DDEQVGXTRRELGF-UHFFFAOYSA-N 1 3 363.505 4.241 20 0 FIADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414167119 1084727217 /nfs/dbraw/zinc/72/72/17/1084727217.db2.gz FXESSFSJADIMPK-VLXBDIDVSA-N 1 3 350.481 4.467 20 0 FIADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414167119 1084727222 /nfs/dbraw/zinc/72/72/22/1084727222.db2.gz FXESSFSJADIMPK-VLXBDIDVSA-N 1 3 350.481 4.467 20 0 FIADHO O=C(Nc1ccccc1Nc1ccncc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000684850872 1084949671 /nfs/dbraw/zinc/94/96/71/1084949671.db2.gz SIKQCYUKAMYBAT-UHFFFAOYSA-N 1 3 372.472 4.095 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651703219 1085392791 /nfs/dbraw/zinc/39/27/91/1085392791.db2.gz RDIDKTHPKSBQDS-UHFFFAOYSA-N 1 3 369.896 4.483 20 0 FIADHO Cc1ncc(CNCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000613776763 1085479436 /nfs/dbraw/zinc/47/94/36/1085479436.db2.gz LCLAVVDAJQTZRM-UHFFFAOYSA-N 1 3 372.516 4.338 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2csc(Cl)c2Cl)C[C@@H](C)O1 ZINC000432229643 1085686882 /nfs/dbraw/zinc/68/68/82/1085686882.db2.gz SPHSWGFJXDZCSO-VXGBXAGGSA-N 1 3 351.343 4.034 20 0 FIADHO FC(F)(F)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657612362 1085687918 /nfs/dbraw/zinc/68/79/18/1085687918.db2.gz MVPADZVUXDIGML-UHFFFAOYSA-N 1 3 363.427 4.102 20 0 FIADHO c1cncc([C@@H]2CCC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000657613727 1085700013 /nfs/dbraw/zinc/70/00/13/1085700013.db2.gz PYLJUQIYBFOHJW-GGAORHGYSA-N 1 3 364.537 4.005 20 0 FIADHO C[C@@H](COc1c(F)cccc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000657628174 1085721959 /nfs/dbraw/zinc/72/19/59/1085721959.db2.gz FLVQYLDKGPKJOI-KRWDZBQOSA-N 1 3 374.475 4.029 20 0 FIADHO COc1ccc(OC)c(CCC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000090888401 1085906167 /nfs/dbraw/zinc/90/61/67/1085906167.db2.gz RYASCVAZRNIMLN-UHFFFAOYSA-N 1 3 360.542 4.023 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583063421 1086131860 /nfs/dbraw/zinc/13/18/60/1086131860.db2.gz SQKIQLDLPRJDCW-SIKLNZKXSA-N 1 3 350.506 4.184 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063421 1086131862 /nfs/dbraw/zinc/13/18/62/1086131862.db2.gz SQKIQLDLPRJDCW-SIKLNZKXSA-N 1 3 350.506 4.184 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000247007217 1086146911 /nfs/dbraw/zinc/14/69/11/1086146911.db2.gz LYNSTCICKPFXDN-CRICUBBOSA-N 1 3 358.551 4.115 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000247007217 1086146922 /nfs/dbraw/zinc/14/69/22/1086146922.db2.gz LYNSTCICKPFXDN-CRICUBBOSA-N 1 3 358.551 4.115 20 0 FIADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(OC(F)(F)F)c1 ZINC000662281079 1086390450 /nfs/dbraw/zinc/39/04/50/1086390450.db2.gz IDPLNHWYVBDGRN-CYBMUJFWSA-N 1 3 350.384 4.082 20 0 FIADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(OC(F)(F)F)cc1 ZINC000662283191 1086393522 /nfs/dbraw/zinc/39/35/22/1086393522.db2.gz RVDROEOIHAYEFA-ZDUSSCGKSA-N 1 3 350.384 4.082 20 0 FIADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297818 1086401177 /nfs/dbraw/zinc/40/11/77/1086401177.db2.gz SGXWCTUGXKNSKY-ICSRJNTNSA-N 1 3 371.569 4.157 20 0 FIADHO Cc1nccc([C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000662504901 1086475080 /nfs/dbraw/zinc/47/50/80/1086475080.db2.gz HEVXDLUWURVTAP-QFIPXVFZSA-N 1 3 364.537 4.151 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000663469488 1086576457 /nfs/dbraw/zinc/57/64/57/1086576457.db2.gz PSTYYGZLQMYOMH-BQFCYCMXSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000663469488 1086576464 /nfs/dbraw/zinc/57/64/64/1086576464.db2.gz PSTYYGZLQMYOMH-BQFCYCMXSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000663469488 1086576476 /nfs/dbraw/zinc/57/64/76/1086576476.db2.gz PSTYYGZLQMYOMH-BQFCYCMXSA-N 1 3 357.567 4.500 20 0 FIADHO COc1ccc([C@H](CC(C)C)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000647288212 1086611152 /nfs/dbraw/zinc/61/11/52/1086611152.db2.gz TUHOOHBWDDSZBL-NRFANRHFSA-N 1 3 360.542 4.017 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338781 1086675618 /nfs/dbraw/zinc/67/56/18/1086675618.db2.gz UCPFJBOKVJZOSK-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338781 1086675623 /nfs/dbraw/zinc/67/56/23/1086675623.db2.gz UCPFJBOKVJZOSK-DENIHFKCSA-N 1 3 360.505 4.015 20 0 FIADHO COc1cccc(OC)c1CNCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512044827 1086699180 /nfs/dbraw/zinc/69/91/80/1086699180.db2.gz ICOXYVGPPOBXJR-QUCCMNQESA-N 1 3 368.521 4.094 20 0 FIADHO COc1cccc(OC)c1CNCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044827 1086699183 /nfs/dbraw/zinc/69/91/83/1086699183.db2.gz ICOXYVGPPOBXJR-QUCCMNQESA-N 1 3 368.521 4.094 20 0 FIADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432438975 1086770096 /nfs/dbraw/zinc/77/00/96/1086770096.db2.gz DYVYDLPALHEXSN-STCOUPBVSA-N 1 3 351.332 4.158 20 0 FIADHO CCO[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000583660779 1086902790 /nfs/dbraw/zinc/90/27/90/1086902790.db2.gz MDMYYOSXXNQVBZ-WTIAFYNJSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660779 1086902792 /nfs/dbraw/zinc/90/27/92/1086902792.db2.gz MDMYYOSXXNQVBZ-WTIAFYNJSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660779 1086902796 /nfs/dbraw/zinc/90/27/96/1086902796.db2.gz MDMYYOSXXNQVBZ-WTIAFYNJSA-N 1 3 352.522 4.264 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(Br)c(F)c1 ZINC000650756499 1086968326 /nfs/dbraw/zinc/96/83/26/1086968326.db2.gz BXRNYXJQEOBWBF-LBPRGKRZSA-N 1 3 351.263 4.158 20 0 FIADHO CCOC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000657970520 1087682935 /nfs/dbraw/zinc/68/29/35/1087682935.db2.gz FNEOXJNFXCLEER-FQUXPLTJSA-N 1 3 356.554 4.224 20 0 FIADHO CCOC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000657970519 1087683241 /nfs/dbraw/zinc/68/32/41/1087683241.db2.gz FNEOXJNFXCLEER-DSKNIHGZSA-N 1 3 356.554 4.224 20 0 FIADHO Clc1ccc(C2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658168054 1087761667 /nfs/dbraw/zinc/76/16/67/1087761667.db2.gz VHOJHQZIMCTVMY-UHFFFAOYSA-N 1 3 369.940 4.483 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000658167761 1087764869 /nfs/dbraw/zinc/76/48/69/1087764869.db2.gz UGNFDNNANMGIBW-AWEZNQCLSA-N 1 3 363.427 4.062 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000163558478 1088211826 /nfs/dbraw/zinc/21/18/26/1088211826.db2.gz INUUZNMBMPZSOD-NSYGIPOTSA-N 1 3 358.551 4.117 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000414813232 1088231184 /nfs/dbraw/zinc/23/11/84/1088231184.db2.gz SWODHYQIIRMFNJ-GFCCVEGCSA-N 1 3 356.363 4.076 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258314 1088478677 /nfs/dbraw/zinc/47/86/77/1088478677.db2.gz WNRHHHSZKZNDHZ-LSBZLQRGSA-N 1 3 359.514 4.093 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258314 1088478685 /nfs/dbraw/zinc/47/86/85/1088478685.db2.gz WNRHHHSZKZNDHZ-LSBZLQRGSA-N 1 3 359.514 4.093 20 0 FIADHO CCCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000514175275 1088861188 /nfs/dbraw/zinc/86/11/88/1088861188.db2.gz XFGXLQICXLDQRK-QFIPXVFZSA-N 1 3 373.585 4.229 20 0 FIADHO C[N@@H+]1CC[C@@]2(CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117392 1089006834 /nfs/dbraw/zinc/00/68/34/1089006834.db2.gz CPOPSKWHBYDQPI-JOCHJYFZSA-N 1 3 356.460 4.124 20 0 FIADHO C[N@H+]1CC[C@@]2(CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117392 1089006845 /nfs/dbraw/zinc/00/68/45/1089006845.db2.gz CPOPSKWHBYDQPI-JOCHJYFZSA-N 1 3 356.460 4.124 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000314555394 1089966045 /nfs/dbraw/zinc/96/60/45/1089966045.db2.gz SMCALHDNXBEMKY-KRWDZBQOSA-N 1 3 351.332 4.289 20 0 FIADHO CCN1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180462376 1090206310 /nfs/dbraw/zinc/20/63/10/1090206310.db2.gz WHJGPTHPVNENEH-PMACEKPBSA-N 1 3 367.940 4.077 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)ccc1OC ZINC000182629031 1090364450 /nfs/dbraw/zinc/36/44/50/1090364450.db2.gz PBXNCPGHCPGKAN-KKSFZXQISA-N 1 3 374.500 4.060 20 0 FIADHO C[C@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124698 1091051302 /nfs/dbraw/zinc/05/13/02/1091051302.db2.gz NSNYGCLCRVTKBK-WBVHZDCISA-N 1 3 354.460 4.473 20 0 FIADHO C[C@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124698 1091051305 /nfs/dbraw/zinc/05/13/05/1091051305.db2.gz NSNYGCLCRVTKBK-WBVHZDCISA-N 1 3 354.460 4.473 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000398002325 1091173974 /nfs/dbraw/zinc/17/39/74/1091173974.db2.gz XAUCPFVIKWMMPX-BEFAXECRSA-N 1 3 373.884 4.248 20 0 FIADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000398002328 1091174229 /nfs/dbraw/zinc/17/42/29/1091174229.db2.gz XAUCPFVIKWMMPX-KXBFYZLASA-N 1 3 373.884 4.248 20 0 FIADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390525830 1091182141 /nfs/dbraw/zinc/18/21/41/1091182141.db2.gz IYXDJGQIIOCBCY-ZJSXRUAMSA-N 1 3 365.565 4.009 20 0 FIADHO COCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666932 1091380142 /nfs/dbraw/zinc/38/01/42/1091380142.db2.gz RDERSUAFSPEMLL-JOCHJYFZSA-N 1 3 352.522 4.223 20 0 FIADHO COCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666932 1091380154 /nfs/dbraw/zinc/38/01/54/1091380154.db2.gz RDERSUAFSPEMLL-JOCHJYFZSA-N 1 3 352.522 4.223 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000511766247 1091651365 /nfs/dbraw/zinc/65/13/65/1091651365.db2.gz DGSYISHTLVXBEG-GUDVDZBRSA-N 1 3 357.542 4.262 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512286059 1092010213 /nfs/dbraw/zinc/01/02/13/1092010213.db2.gz ADOCEWMLFDBZRI-ZSXJVMONSA-N 1 3 370.581 4.470 20 0 FIADHO C[C@H]1CC(NCc2ccc(-n3ccnc3)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011987 1092315453 /nfs/dbraw/zinc/31/54/53/1092315453.db2.gz USULPXHOVNEIBZ-PMACEKPBSA-N 1 3 374.532 4.404 20 0 FIADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000549726897 1092723593 /nfs/dbraw/zinc/72/35/93/1092723593.db2.gz OOVTUCSVMSVAJG-RXVVDRJESA-N 1 3 364.574 4.133 20 0 FIADHO c1cc2cc(CC[NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)ccc2[nH]1 ZINC000442820258 1092788966 /nfs/dbraw/zinc/78/89/66/1092788966.db2.gz KFBODLBSQYMZQM-WMTXJRDZSA-N 1 3 359.517 4.211 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC000575816320 1093063832 /nfs/dbraw/zinc/06/38/32/1093063832.db2.gz PCFUTSZBRATCPZ-UHFFFAOYSA-N 1 3 351.494 4.178 20 0 FIADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512660442 1093096792 /nfs/dbraw/zinc/09/67/92/1093096792.db2.gz NGNBYEBUKUSXJH-BHDDXSALSA-N 1 3 358.570 4.066 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+]CC3CCCCCC3)C3(C2)CCOCC3)cc1 ZINC000549867914 1093104533 /nfs/dbraw/zinc/10/45/33/1093104533.db2.gz HQZBXOGGMDJKOD-QHCPKHFHSA-N 1 3 370.581 4.475 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)N(O)C2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018834 1093173610 /nfs/dbraw/zinc/17/36/10/1093173610.db2.gz FLPXBCVMHYSHSA-HNJRGHQBSA-N 1 3 359.558 4.038 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)N(O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018834 1093173612 /nfs/dbraw/zinc/17/36/12/1093173612.db2.gz FLPXBCVMHYSHSA-HNJRGHQBSA-N 1 3 359.558 4.038 20 0 FIADHO C[C@H]1CC([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@H](C)N1Cc1ccccc1 ZINC001168020321 1093204774 /nfs/dbraw/zinc/20/47/74/1093204774.db2.gz LZCCJLLJARFPMN-HKARXFIJSA-N 1 3 350.506 4.411 20 0 FIADHO OCCC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411470481 1093323553 /nfs/dbraw/zinc/32/35/53/1093323553.db2.gz JBVMFXQSIFAKDV-QHCPKHFHSA-N 1 3 352.522 4.276 20 0 FIADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000512995417 1093645027 /nfs/dbraw/zinc/64/50/27/1093645027.db2.gz BRLRQINZOWHGFG-UHFFFAOYSA-N 1 3 369.475 4.041 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221840 1094018393 /nfs/dbraw/zinc/01/83/93/1094018393.db2.gz FIDILZLDNQIPQG-OIBXWCBGSA-N 1 3 352.522 4.143 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221840 1094018399 /nfs/dbraw/zinc/01/83/99/1094018399.db2.gz FIDILZLDNQIPQG-OIBXWCBGSA-N 1 3 352.522 4.143 20 0 FIADHO CN1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000513703683 1094411571 /nfs/dbraw/zinc/41/15/71/1094411571.db2.gz YTAFXKCLPSWFPR-BHIFYINESA-N 1 3 350.506 4.195 20 0 FIADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501009099 1094418891 /nfs/dbraw/zinc/41/88/91/1094418891.db2.gz ZCWWNAAMWVPGPD-UHFFFAOYSA-N 1 3 372.384 4.234 20 0 FIADHO Cc1nc2ccccn2c1C[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168039376 1094458764 /nfs/dbraw/zinc/45/87/64/1094458764.db2.gz DQJYVLTWMGEYQG-QZTJIDSGSA-N 1 3 362.521 4.174 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000501390336 1094676165 /nfs/dbraw/zinc/67/61/65/1094676165.db2.gz VRJYTFNWOFCKMZ-CQOQZXRMSA-N 1 3 363.549 4.262 20 0 FIADHO [NH3+]C[C@H](NCCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000420353596 1094897001 /nfs/dbraw/zinc/89/70/01/1094897001.db2.gz APQAQNLGHVTCFL-QFIPXVFZSA-N 1 3 365.521 4.179 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC ZINC000474923318 1094922981 /nfs/dbraw/zinc/92/29/81/1094922981.db2.gz GABBJTKOLCPADY-DOADOZAASA-N 1 3 374.569 4.438 20 0 FIADHO COCC[N@H+](C)CCCC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000501785175 1094923940 /nfs/dbraw/zinc/92/39/40/1094923940.db2.gz KLTCLLDLSBZQPY-MRXNPFEDSA-N 1 3 354.485 4.096 20 0 FIADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000501785175 1094923944 /nfs/dbraw/zinc/92/39/44/1094923944.db2.gz KLTCLLDLSBZQPY-MRXNPFEDSA-N 1 3 354.485 4.096 20 0 FIADHO Cc1[nH]c2ccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2c1C ZINC000422724313 1096472673 /nfs/dbraw/zinc/47/26/73/1096472673.db2.gz VIALQVBLFMPTRJ-FYYLOGMGSA-N 1 3 361.489 4.130 20 0 FIADHO Cc1[nH]c2ccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2c1C ZINC000422724315 1096473142 /nfs/dbraw/zinc/47/31/42/1096473142.db2.gz VIALQVBLFMPTRJ-GMAHTHKFSA-N 1 3 361.489 4.130 20 0 FIADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000422769362 1096486878 /nfs/dbraw/zinc/48/68/78/1096486878.db2.gz OTEVTTPRTZLNCV-VXWZWFMZSA-N 1 3 362.517 4.472 20 0 FIADHO CC(C)(C)c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784244 1096490143 /nfs/dbraw/zinc/49/01/43/1096490143.db2.gz PKCISXYXRLDGBO-OFNKIYASSA-N 1 3 350.506 4.330 20 0 FIADHO Cc1nc(-c2ccc(CCN[C@H](Cc3ccccc3)[C@@H](C)[NH3+])s2)cs1 ZINC000422796993 1096493293 /nfs/dbraw/zinc/49/32/93/1096493293.db2.gz KUQUIIJKMMNFRF-RDTXWAMCSA-N 1 3 371.575 4.271 20 0 FIADHO COc1cc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(C)C ZINC000422805428 1096496232 /nfs/dbraw/zinc/49/62/32/1096496232.db2.gz GSIYKGYULUUKPT-CABCVRRESA-N 1 3 357.498 4.056 20 0 FIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(-c2cccnc2)cc1 ZINC000422813889 1096498504 /nfs/dbraw/zinc/49/85/04/1096498504.db2.gz YUXJCKNCBBWYPL-VWNXMTODSA-N 1 3 371.484 4.094 20 0 FIADHO FC(F)Oc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422832371 1096501476 /nfs/dbraw/zinc/50/14/76/1096501476.db2.gz UTWMUJIRBQSDGN-ZSYWTGECSA-N 1 3 350.453 4.176 20 0 FIADHO COc1ccc(-c2csc(CN[C@H](C)c3ccc(C[NH3+])nc3C)c2)cc1 ZINC000422818032 1096503784 /nfs/dbraw/zinc/50/37/84/1096503784.db2.gz FHRAPUKSTTWZEE-CQSZACIVSA-N 1 3 367.518 4.437 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422843262 1096508866 /nfs/dbraw/zinc/50/88/66/1096508866.db2.gz HOSWHBFIUWPOJE-AWEZNQCLSA-N 1 3 359.464 4.290 20 0 FIADHO CCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422892308 1096516423 /nfs/dbraw/zinc/51/64/23/1096516423.db2.gz MPZQDXJVZYRABA-LSDHHAIUSA-N 1 3 357.498 4.058 20 0 FIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000422930941 1096528063 /nfs/dbraw/zinc/52/80/63/1096528063.db2.gz AEVYNPUCWOKBJL-ACJLOTCBSA-N 1 3 365.290 4.395 20 0 FIADHO Cc1ccc(COc2ccc(C[C@@H](C)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000422939501 1096530262 /nfs/dbraw/zinc/53/02/62/1096530262.db2.gz FWXDNNBKCUTWTE-ZYGDZFMBSA-N 1 3 364.533 4.378 20 0 FIADHO Clc1cccc2c1CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422943031 1096531332 /nfs/dbraw/zinc/53/13/32/1096531332.db2.gz XOAWDASOTQOTHD-IRFCIJBXSA-N 1 3 354.881 4.173 20 0 FIADHO COc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)cc1OC ZINC000422917716 1096531836 /nfs/dbraw/zinc/53/18/36/1096531836.db2.gz GQIFXPQOXWQMDR-JLTOFOAXSA-N 1 3 362.901 4.164 20 0 FIADHO CCCOc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000423066299 1096562115 /nfs/dbraw/zinc/56/21/15/1096562115.db2.gz DKISOPDDMPOEMF-GMAHTHKFSA-N 1 3 366.505 4.129 20 0 FIADHO Fc1ccc2c(c1)[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089880 1096570845 /nfs/dbraw/zinc/57/08/45/1096570845.db2.gz WETDCLKTZGYCIL-SJBKTWHCSA-N 1 3 352.453 4.049 20 0 FIADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093229 1096572215 /nfs/dbraw/zinc/57/22/15/1096572215.db2.gz GQNYMIZQFNBVMG-BQGCOEIASA-N 1 3 355.295 4.084 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423122575 1096579007 /nfs/dbraw/zinc/57/90/07/1096579007.db2.gz KAOPENDUCRXMCZ-HZPDHXFCSA-N 1 3 362.477 4.448 20 0 FIADHO FC(F)(F)[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122104 1096579389 /nfs/dbraw/zinc/57/93/89/1096579389.db2.gz KESWBENDVBKENL-XUVXKRRUSA-N 1 3 362.439 4.491 20 0 FIADHO CC(F)(F)c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423125800 1096580261 /nfs/dbraw/zinc/58/02/61/1096580261.db2.gz AHMZEZJELVKRQY-WIYYLYMNSA-N 1 3 358.432 4.144 20 0 FIADHO CSc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112047 1096586188 /nfs/dbraw/zinc/58/61/88/1096586188.db2.gz XGZVPQVDHFNTRE-DLVCFXQMSA-N 1 3 354.519 4.315 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000423133180 1096590970 /nfs/dbraw/zinc/59/09/70/1096590970.db2.gz VRTVWVDRTPFVSV-GAJHUEQPSA-N 1 3 368.569 4.001 20 0 FIADHO FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000503950476 1096602765 /nfs/dbraw/zinc/60/27/65/1096602765.db2.gz UHFIVSARMDGUJI-OMQSBVIBSA-N 1 3 364.480 4.037 20 0 FIADHO Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423228492 1096623793 /nfs/dbraw/zinc/62/37/93/1096623793.db2.gz ZVQIKBCKOFEJQV-QWRGUYRKSA-N 1 3 368.344 4.269 20 0 FIADHO CCC(N)(CC)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423283477 1096634091 /nfs/dbraw/zinc/63/40/91/1096634091.db2.gz FGUACJDKHCDDHI-QGZVFWFLSA-N 1 3 369.347 4.024 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000423296222 1096644367 /nfs/dbraw/zinc/64/43/67/1096644367.db2.gz YPKWEABVQDPWPI-KZULUSFZSA-N 1 3 350.384 4.382 20 0 FIADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000423508807 1096702210 /nfs/dbraw/zinc/70/22/10/1096702210.db2.gz OFBODZWTIFUPHH-SIXWZSSISA-N 1 3 359.311 4.256 20 0 FIADHO NC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C2CC3CC(C2)CC1C3 ZINC000423530378 1096708663 /nfs/dbraw/zinc/70/86/63/1096708663.db2.gz RHIRQZLREOUVQO-ZKHDVHNPSA-N 1 3 372.528 4.037 20 0 FIADHO CCOC(=O)c1oc2c(c1C)[C@H](N[C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423510648 1096710329 /nfs/dbraw/zinc/71/03/29/1096710329.db2.gz MWIQKCVYYAVSFT-QZTJIDSGSA-N 1 3 370.493 4.212 20 0 FIADHO C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)N(C)Cc1ccccc1 ZINC000436241883 1098847411 /nfs/dbraw/zinc/84/74/11/1098847411.db2.gz LDPABSNTHJOYCT-MRXNPFEDSA-N 1 3 354.523 4.138 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309930 1098946001 /nfs/dbraw/zinc/94/60/01/1098946001.db2.gz GTOKMHSWBWKSFH-ZFWWWQNUSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309930 1098946004 /nfs/dbraw/zinc/94/60/04/1098946004.db2.gz GTOKMHSWBWKSFH-ZFWWWQNUSA-N 1 3 372.340 4.127 20 0 FIADHO CC[NH+](CC)Cc1ccccc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001211996422 1099220487 /nfs/dbraw/zinc/22/04/87/1099220487.db2.gz YZKKLDBPHMRFRF-UHFFFAOYSA-N 1 3 366.553 4.019 20 0 FIADHO COc1cc(CNC2CC[NH+](C3CC3)CC2)c(-c2ccccc2)cc1OC ZINC000067667279 1099475206 /nfs/dbraw/zinc/47/52/06/1099475206.db2.gz XZBFNJRBQULPMZ-UHFFFAOYSA-N 1 3 366.505 4.087 20 0 FIADHO COc1ccc([C@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162277141 1099672391 /nfs/dbraw/zinc/67/23/91/1099672391.db2.gz HTKAYFOLCTTZKV-CVEARBPZSA-N 1 3 360.473 4.187 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702684 1099857276 /nfs/dbraw/zinc/85/72/76/1099857276.db2.gz WHKNJEUQZNNMDK-RXVVDRJESA-N 1 3 367.537 4.259 20 0 FIADHO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508709833 1099899211 /nfs/dbraw/zinc/89/92/11/1099899211.db2.gz JWNLOLYUTWNSMH-GMHONNGPSA-N 1 3 364.533 4.407 20 0 FIADHO CCOc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440423 1100174448 /nfs/dbraw/zinc/17/44/48/1100174448.db2.gz USMPOKPKQUUGBA-JXFKEZNVSA-N 1 3 360.523 4.025 20 0 FIADHO CCOc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440423 1100174456 /nfs/dbraw/zinc/17/44/56/1100174456.db2.gz USMPOKPKQUUGBA-JXFKEZNVSA-N 1 3 360.523 4.025 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2cccs2)C2CCCC2)C[C@H](C)O1 ZINC000536857258 1100373604 /nfs/dbraw/zinc/37/36/04/1100373604.db2.gz KRFVCJUJJSJAEA-FUHIMQAGSA-N 1 3 350.572 4.458 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000536861954 1100379696 /nfs/dbraw/zinc/37/96/96/1100379696.db2.gz IKPHQBXLUAJAPT-IIDMSEBBSA-N 1 3 368.974 4.356 20 0 FIADHO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000426345733 1101324092 /nfs/dbraw/zinc/32/40/92/1101324092.db2.gz NCDAAWIKHKPSAK-IIBYNOLFSA-N 1 3 356.535 4.005 20 0 FIADHO C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000426355031 1101351736 /nfs/dbraw/zinc/35/17/36/1101351736.db2.gz XKWGKCOEHUQONI-ODULNIPZSA-N 1 3 370.562 4.251 20 0 FIADHO C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1OCCc2sccc21 ZINC000426355031 1101351748 /nfs/dbraw/zinc/35/17/48/1101351748.db2.gz XKWGKCOEHUQONI-ODULNIPZSA-N 1 3 370.562 4.251 20 0 FIADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459741300 1101366391 /nfs/dbraw/zinc/36/63/91/1101366391.db2.gz VGSFALYDSREOSR-QGZVFWFLSA-N 1 3 373.928 4.136 20 0 FIADHO C[N@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000459741300 1101366408 /nfs/dbraw/zinc/36/64/08/1101366408.db2.gz VGSFALYDSREOSR-QGZVFWFLSA-N 1 3 373.928 4.136 20 0 FIADHO [NH3+][C@H]1CCCCC[C@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423026804 1101404610 /nfs/dbraw/zinc/40/46/10/1101404610.db2.gz CACNADUFVBHXFL-RBUKOAKNSA-N 1 3 370.368 4.207 20 0 FIADHO C[C@@H](c1cc(Cl)ccc1Cl)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537035348 1101411572 /nfs/dbraw/zinc/41/15/72/1101411572.db2.gz AGVORUZZWBPGDS-AWEZNQCLSA-N 1 3 358.357 4.012 20 0 FIADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000537306038 1101631450 /nfs/dbraw/zinc/63/14/50/1101631450.db2.gz BRPKJBGZDZIRBI-DQLDELGASA-N 1 3 370.537 4.414 20 0 FIADHO COc1cccc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000061000072 1102187645 /nfs/dbraw/zinc/18/76/45/1102187645.db2.gz BQCHEOBPDZRQAL-OALUTQOASA-N 1 3 352.522 4.463 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(CO)c1 ZINC000121229706 1102349241 /nfs/dbraw/zinc/34/92/41/1102349241.db2.gz OGMAVMJMVSIKEC-MOPGFXCFSA-N 1 3 352.522 4.404 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(CO)c1 ZINC000121229706 1102349254 /nfs/dbraw/zinc/34/92/54/1102349254.db2.gz OGMAVMJMVSIKEC-MOPGFXCFSA-N 1 3 352.522 4.404 20 0 FIADHO C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(CO)c1 ZINC000121545750 1102413532 /nfs/dbraw/zinc/41/35/32/1102413532.db2.gz SLJVRSUFWVFCDR-IBGZPJMESA-N 1 3 352.522 4.406 20 0 FIADHO COCC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000550861099 1102644629 /nfs/dbraw/zinc/64/46/29/1102644629.db2.gz WETNHCIGGUAJLC-BHDDXSALSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881680 1102651360 /nfs/dbraw/zinc/65/13/60/1102651360.db2.gz BDYZAMNLLFVBIF-NFBKMPQASA-N 1 3 364.533 4.266 20 0 FIADHO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881680 1102651366 /nfs/dbraw/zinc/65/13/66/1102651366.db2.gz BDYZAMNLLFVBIF-NFBKMPQASA-N 1 3 364.533 4.266 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881680 1102651371 /nfs/dbraw/zinc/65/13/71/1102651371.db2.gz BDYZAMNLLFVBIF-NFBKMPQASA-N 1 3 364.533 4.266 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012507 1102781994 /nfs/dbraw/zinc/78/19/94/1102781994.db2.gz RLIXMRKNMIAUIN-OALUTQOASA-N 1 3 359.311 4.374 20 0 FIADHO C[N@H+]1CC[C@H](NCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012507 1102782007 /nfs/dbraw/zinc/78/20/07/1102782007.db2.gz RLIXMRKNMIAUIN-OALUTQOASA-N 1 3 359.311 4.374 20 0 FIADHO CO[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087733 1102906009 /nfs/dbraw/zinc/90/60/09/1102906009.db2.gz ZIVADIBLRLFMAF-PWRODBHTSA-N 1 3 358.913 4.453 20 0 FIADHO CO[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087733 1102906013 /nfs/dbraw/zinc/90/60/13/1102906013.db2.gz ZIVADIBLRLFMAF-PWRODBHTSA-N 1 3 358.913 4.453 20 0 FIADHO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000459358596 1102912709 /nfs/dbraw/zinc/91/27/09/1102912709.db2.gz BKTSKKLISONWFQ-FDQBOKQBSA-N 1 3 362.517 4.353 20 0 FIADHO CC[NH+]1CCC(CNCc2c(C)nn(-c3cc(C)ccc3C)c2Cl)CC1 ZINC000729682331 1103037167 /nfs/dbraw/zinc/03/71/67/1103037167.db2.gz PUDOADMTCIDGLT-UHFFFAOYSA-N 1 3 374.960 4.272 20 0 FIADHO c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507459369 1103403109 /nfs/dbraw/zinc/40/31/09/1103403109.db2.gz FUGPYZVKESFTKZ-FJIJXJHWSA-N 1 3 359.517 4.211 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCc4ccc5ccccc5n4)[C@H]3C2)cc1 ZINC000507519019 1103463780 /nfs/dbraw/zinc/46/37/80/1103463780.db2.gz GQZBXBDWPMVYMT-RSEQLOHWSA-N 1 3 371.528 4.278 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000551812613 1103694229 /nfs/dbraw/zinc/69/42/29/1103694229.db2.gz NYKCMFURBCRZBA-QFIPXVFZSA-N 1 3 354.469 4.076 20 0 FIADHO c1ccc2c(c1)CCC21CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167987609 1103719497 /nfs/dbraw/zinc/71/94/97/1103719497.db2.gz LWQQSUAWDRGHOT-CBQGHPETSA-N 1 3 350.550 4.372 20 0 FIADHO Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394963 1104330692 /nfs/dbraw/zinc/33/06/92/1104330692.db2.gz QFBIAHQGEOXWAT-KKSFZXQISA-N 1 3 371.912 4.444 20 0 FIADHO Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394963 1104330699 /nfs/dbraw/zinc/33/06/99/1104330699.db2.gz QFBIAHQGEOXWAT-KKSFZXQISA-N 1 3 371.912 4.444 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419135 1104399400 /nfs/dbraw/zinc/39/94/00/1104399400.db2.gz JJURSYUUAFFQPX-UGKGYDQZSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441419135 1104399412 /nfs/dbraw/zinc/39/94/12/1104399412.db2.gz JJURSYUUAFFQPX-UGKGYDQZSA-N 1 3 350.506 4.167 20 0 FIADHO Cc1cc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc(C)c1OCc1ccccn1 ZINC000237186676 1105002736 /nfs/dbraw/zinc/00/27/36/1105002736.db2.gz DVYQCSDJTPJQBM-RBBKRZOGSA-N 1 3 367.537 4.240 20 0 FIADHO Fc1cccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001168004336 1105033581 /nfs/dbraw/zinc/03/35/81/1105033581.db2.gz SYTRKYBQYNLFAF-AIZNXBIQSA-N 1 3 356.529 4.486 20 0 FIADHO Fc1cccc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001168004336 1105033587 /nfs/dbraw/zinc/03/35/87/1105033587.db2.gz SYTRKYBQYNLFAF-AIZNXBIQSA-N 1 3 356.529 4.486 20 0 FIADHO Fc1cccc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168004336 1105033592 /nfs/dbraw/zinc/03/35/92/1105033592.db2.gz SYTRKYBQYNLFAF-AIZNXBIQSA-N 1 3 356.529 4.486 20 0 FIADHO Brc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192922425 1106903176 /nfs/dbraw/zinc/90/31/76/1106903176.db2.gz GSNKYEJAHKIPEM-HNNXBMFYSA-N 1 3 365.340 4.122 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152434274 1107454596 /nfs/dbraw/zinc/45/45/96/1107454596.db2.gz KZVGBAQAQQCUGX-WZONZLPQSA-N 1 3 368.496 4.192 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434274 1107454604 /nfs/dbraw/zinc/45/46/04/1107454604.db2.gz KZVGBAQAQQCUGX-WZONZLPQSA-N 1 3 368.496 4.192 20 0 FIADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152444249 1107651340 /nfs/dbraw/zinc/65/13/40/1107651340.db2.gz LYQDGBCZYMSWEW-CRAIPNDOSA-N 1 3 355.551 4.177 20 0 FIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375608 1108494307 /nfs/dbraw/zinc/49/43/07/1108494307.db2.gz XYUFOVXBZZLOOD-ITQWMJHLSA-N 1 3 357.325 4.364 20 0 FIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375608 1108494317 /nfs/dbraw/zinc/49/43/17/1108494317.db2.gz XYUFOVXBZZLOOD-ITQWMJHLSA-N 1 3 357.325 4.364 20 0 FIADHO c1ccc2c(c1)CCSC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532200118 1108705230 /nfs/dbraw/zinc/70/52/30/1108705230.db2.gz QOHHIRVQQXKALK-QFIPXVFZSA-N 1 3 352.547 4.403 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527845285 1109832638 /nfs/dbraw/zinc/83/26/38/1109832638.db2.gz DLJVJSJMKHYHJV-FQEVSTJZSA-N 1 3 362.876 4.197 20 0 FIADHO C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527971033 1109871785 /nfs/dbraw/zinc/87/17/85/1109871785.db2.gz UNILYUHNZJEKBO-VGSWGCGISA-N 1 3 353.510 4.214 20 0 FIADHO CC(C)Oc1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449082255 1109974918 /nfs/dbraw/zinc/97/49/18/1109974918.db2.gz LWULMNILMPENIN-IBGZPJMESA-N 1 3 367.537 4.054 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2(C(F)(F)F)CCC2)CC1 ZINC000449320859 1110032923 /nfs/dbraw/zinc/03/29/23/1110032923.db2.gz KIGBPQQGLVJONO-MRXNPFEDSA-N 1 3 354.460 4.404 20 0 FIADHO c1[nH]nc2c1cccc2CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000538733505 1111269485 /nfs/dbraw/zinc/26/94/85/1111269485.db2.gz YODXIXGUJCREMX-HSZRJFAPSA-N 1 3 360.505 4.051 20 0 FIADHO c1[nH]nc2c1cccc2CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000538733505 1111269489 /nfs/dbraw/zinc/26/94/89/1111269489.db2.gz YODXIXGUJCREMX-HSZRJFAPSA-N 1 3 360.505 4.051 20 0 FIADHO CC[C@H](NCC1(CC)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000539294333 1111505159 /nfs/dbraw/zinc/50/51/59/1111505159.db2.gz BWBRUEABHBGNHD-FQEVSTJZSA-N 1 3 354.542 4.153 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCNc1ccccc1)c1ccccc1O2 ZINC000539400943 1111551204 /nfs/dbraw/zinc/55/12/04/1111551204.db2.gz VJNPULLZSKAXTF-OAQYLSRUSA-N 1 3 365.521 4.066 20 0 FIADHO Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000097287794 1111935901 /nfs/dbraw/zinc/93/59/01/1111935901.db2.gz HWRCDAXXTNGMMA-SFHVURJKSA-N 1 3 370.924 4.493 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CCCc4nn(C)cc43)cc2)C1 ZINC000479363207 1112006737 /nfs/dbraw/zinc/00/67/37/1112006737.db2.gz PKJZDGMOLBFEPQ-KGVIQGDOSA-N 1 3 366.553 4.065 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CCCc4nn(C)cc43)cc2)C1 ZINC000479363207 1112006741 /nfs/dbraw/zinc/00/67/41/1112006741.db2.gz PKJZDGMOLBFEPQ-KGVIQGDOSA-N 1 3 366.553 4.065 20 0 FIADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464293 1112034434 /nfs/dbraw/zinc/03/44/34/1112034434.db2.gz LPCSBUDWUKUGQD-PZJWPPBQSA-N 1 3 360.505 4.045 20 0 FIADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464293 1112034441 /nfs/dbraw/zinc/03/44/41/1112034441.db2.gz LPCSBUDWUKUGQD-PZJWPPBQSA-N 1 3 360.505 4.045 20 0 FIADHO Cc1cc2[nH]c(CNCc3cccc(OCC[NH+](C)C)c3)cc2c(C)c1 ZINC000479553013 1112069550 /nfs/dbraw/zinc/06/95/50/1112069550.db2.gz OLOJZEYXGIGTDS-UHFFFAOYSA-N 1 3 351.494 4.015 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000479553113 1112069574 /nfs/dbraw/zinc/06/95/74/1112069574.db2.gz PLCSRWOEPWTKDM-OAHLLOKOSA-N 1 3 369.347 4.202 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000479553113 1112069577 /nfs/dbraw/zinc/06/95/77/1112069577.db2.gz PLCSRWOEPWTKDM-OAHLLOKOSA-N 1 3 369.347 4.202 20 0 FIADHO CCCN(CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000479678935 1112111667 /nfs/dbraw/zinc/11/16/67/1112111667.db2.gz VQNQDBACOBCPRA-UHFFFAOYSA-N 1 3 372.340 4.034 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000480159997 1112307754 /nfs/dbraw/zinc/30/77/54/1112307754.db2.gz NJZFGNKAAXCKGU-QGZVFWFLSA-N 1 3 359.514 4.402 20 0 FIADHO CCc1nc2c(s1)[C@H](NCCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000480222592 1112337497 /nfs/dbraw/zinc/33/74/97/1112337497.db2.gz BIZRUUVFNBCPEQ-GOSISDBHSA-N 1 3 355.551 4.121 20 0 FIADHO CCc1nc2c(s1)[C@H](NCCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000480222592 1112337503 /nfs/dbraw/zinc/33/75/03/1112337503.db2.gz BIZRUUVFNBCPEQ-GOSISDBHSA-N 1 3 355.551 4.121 20 0 FIADHO COC1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCCC1 ZINC000480364851 1112403655 /nfs/dbraw/zinc/40/36/55/1112403655.db2.gz NLOJUBLVRCBVMQ-UHFFFAOYSA-N 1 3 350.934 4.101 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000480369854 1112408182 /nfs/dbraw/zinc/40/81/82/1112408182.db2.gz JJGZCEGZMWIBRO-HSZRJFAPSA-N 1 3 364.533 4.130 20 0 FIADHO COc1cccc2c1CC[C@H]2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000480445782 1112431891 /nfs/dbraw/zinc/43/18/91/1112431891.db2.gz HDGXPXFKXIPHNC-JOCHJYFZSA-N 1 3 350.506 4.458 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000480603349 1112505247 /nfs/dbraw/zinc/50/52/47/1112505247.db2.gz RUTLECPFLHFQDZ-ULQDDVLXSA-N 1 3 366.521 4.252 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000480724632 1112572527 /nfs/dbraw/zinc/57/25/27/1112572527.db2.gz CPSQHLAMQBGISK-QFIPXVFZSA-N 1 3 356.485 4.323 20 0 FIADHO FC(F)(F)c1ccccc1OCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000554972303 1112599924 /nfs/dbraw/zinc/59/99/24/1112599924.db2.gz JCJRYGSLLDEXEN-QGZVFWFLSA-N 1 3 370.459 4.282 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536835 1112913657 /nfs/dbraw/zinc/91/36/57/1112913657.db2.gz ABJGDEPZEZCZIM-NVXWUHKLSA-N 1 3 365.359 4.016 20 0 FIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000481651075 1113012150 /nfs/dbraw/zinc/01/21/50/1113012150.db2.gz CUUKVQZVYMEAGN-IKGGRYGDSA-N 1 3 372.475 4.115 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000483137039 1113446333 /nfs/dbraw/zinc/44/63/33/1113446333.db2.gz SZXDMYGEAAPVQU-SCTDSRPQSA-N 1 3 364.599 4.415 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000483137039 1113446335 /nfs/dbraw/zinc/44/63/35/1113446335.db2.gz SZXDMYGEAAPVQU-SCTDSRPQSA-N 1 3 364.599 4.415 20 0 FIADHO Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C2)c1 ZINC000573366141 1115094063 /nfs/dbraw/zinc/09/40/63/1115094063.db2.gz FXRXYYGBBHQEFO-QRGRWYIGSA-N 1 3 370.487 4.365 20 0 FIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)C1 ZINC000760908727 1115170592 /nfs/dbraw/zinc/17/05/92/1115170592.db2.gz QJCPUEOEEOVRHB-ZOGZRVJRSA-N 1 3 370.581 4.450 20 0 FIADHO CC[N@@H+](Cc1nc2ccccc2nc1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000608510883 1116113494 /nfs/dbraw/zinc/11/34/94/1116113494.db2.gz QROFYUZXANTJNS-OAQYLSRUSA-N 1 3 374.532 4.282 20 0 FIADHO CC[N@H+](Cc1nc2ccccc2nc1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000608510883 1116113496 /nfs/dbraw/zinc/11/34/96/1116113496.db2.gz QROFYUZXANTJNS-OAQYLSRUSA-N 1 3 374.532 4.282 20 0 FIADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(CN4CCCC4)c3)ccc21 ZINC000456292722 1116174676 /nfs/dbraw/zinc/17/46/76/1116174676.db2.gz ZUAPZJLJSHFLDP-JOCHJYFZSA-N 1 3 363.505 4.084 20 0 FIADHO CCN1CCN(c2ccccc2C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000462660687 1116387333 /nfs/dbraw/zinc/38/73/33/1116387333.db2.gz VUKDPWKUYKXXNO-UHFFFAOYSA-N 1 3 359.464 4.056 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000462784365 1117762606 /nfs/dbraw/zinc/76/26/06/1117762606.db2.gz DZHZBQHUJSJJMX-CVEARBPZSA-N 1 3 374.326 4.075 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000462784365 1117762611 /nfs/dbraw/zinc/76/26/11/1117762611.db2.gz DZHZBQHUJSJJMX-CVEARBPZSA-N 1 3 374.326 4.075 20 0 FIADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462783466 1117765463 /nfs/dbraw/zinc/76/54/63/1117765463.db2.gz PDUHEJFDBSNCTO-GOTSBHOMSA-N 1 3 356.554 4.202 20 0 FIADHO CC1CC[NH+](CCC[C@@H](NCC2=CCCOC2)c2ccc(F)cc2)CC1 ZINC000462803998 1117786216 /nfs/dbraw/zinc/78/62/16/1117786216.db2.gz BVBYDKXYNWGOFR-JOCHJYFZSA-N 1 3 360.517 4.315 20 0 FIADHO Oc1cccc2c1CCC[C@@H]2NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896312 1117844563 /nfs/dbraw/zinc/84/45/63/1117844563.db2.gz NFOFTYTZCXRCME-JXFKEZNVSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1cccc2c1CCC[C@@H]2NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896312 1117844568 /nfs/dbraw/zinc/84/45/68/1117844568.db2.gz NFOFTYTZCXRCME-JXFKEZNVSA-N 1 3 356.535 4.333 20 0 FIADHO CC(C)Cc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000540142681 1117895247 /nfs/dbraw/zinc/89/52/47/1117895247.db2.gz LEFUHDDZUFIZPK-GOSISDBHSA-N 1 3 355.526 4.071 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000540170497 1117912731 /nfs/dbraw/zinc/91/27/31/1117912731.db2.gz ITRZJMXBZFVSLQ-BZUAXINKSA-N 1 3 358.448 4.245 20 0 FIADHO COc1ccc2cc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000540171554 1117912881 /nfs/dbraw/zinc/91/28/81/1117912881.db2.gz RJOFTMNOKVAVGV-OTWHNJEPSA-N 1 3 370.537 4.388 20 0 FIADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000540172693 1117913605 /nfs/dbraw/zinc/91/36/05/1117913605.db2.gz SBTCVUCLFZKZSR-JZXOWHBKSA-N 1 3 370.484 4.218 20 0 FIADHO CC(C)[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000540315368 1117980859 /nfs/dbraw/zinc/98/08/59/1117980859.db2.gz DNGUCWMFJDQNOR-UFYCRDLUSA-N 1 3 350.934 4.005 20 0 FIADHO CC(C)[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000540315369 1117981098 /nfs/dbraw/zinc/98/10/98/1117981098.db2.gz DNGUCWMFJDQNOR-ZCNNSNEGSA-N 1 3 350.934 4.005 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132482 1117983594 /nfs/dbraw/zinc/98/35/94/1117983594.db2.gz PFEYZVWFMJUXIX-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132482 1117983597 /nfs/dbraw/zinc/98/35/97/1117983597.db2.gz PFEYZVWFMJUXIX-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)CCN1Cc1ccccc1 ZINC000463137726 1117985973 /nfs/dbraw/zinc/98/59/73/1117985973.db2.gz MPAHNAJJIMJDTC-YSZBQJHXSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137726 1117985976 /nfs/dbraw/zinc/98/59/76/1117985976.db2.gz MPAHNAJJIMJDTC-YSZBQJHXSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137726 1117985980 /nfs/dbraw/zinc/98/59/80/1117985980.db2.gz MPAHNAJJIMJDTC-YSZBQJHXSA-N 1 3 369.528 4.071 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147897 1117991928 /nfs/dbraw/zinc/99/19/28/1117991928.db2.gz REZNAWDKNMGREZ-AUSIDOKSSA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147897 1117991932 /nfs/dbraw/zinc/99/19/32/1117991932.db2.gz REZNAWDKNMGREZ-AUSIDOKSSA-N 1 3 352.522 4.366 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208940 1118022710 /nfs/dbraw/zinc/02/27/10/1118022710.db2.gz ZSWMGKOWXJBBCI-LZNRXBQRSA-N 1 3 350.506 4.325 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208940 1118022716 /nfs/dbraw/zinc/02/27/16/1118022716.db2.gz ZSWMGKOWXJBBCI-LZNRXBQRSA-N 1 3 350.506 4.325 20 0 FIADHO C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540475534 1118077839 /nfs/dbraw/zinc/07/78/39/1118077839.db2.gz NUQIKHOWSDQYTG-GIVPXCGWSA-N 1 3 372.553 4.160 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173331183 1119034075 /nfs/dbraw/zinc/03/40/75/1119034075.db2.gz LOCSCLMQEXGKRP-QGZVFWFLSA-N 1 3 356.510 4.396 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195735 1119044144 /nfs/dbraw/zinc/04/41/44/1119044144.db2.gz XBTMHHZLEYEKBP-PKICCIJUSA-N 1 3 370.562 4.393 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195735 1119044148 /nfs/dbraw/zinc/04/41/48/1119044148.db2.gz XBTMHHZLEYEKBP-PKICCIJUSA-N 1 3 370.562 4.393 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000311493655 1119377122 /nfs/dbraw/zinc/37/71/22/1119377122.db2.gz KDEPGAVFBZOWDW-WMZHIEFXSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493655 1119377126 /nfs/dbraw/zinc/37/71/26/1119377126.db2.gz KDEPGAVFBZOWDW-WMZHIEFXSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311491847 1119377176 /nfs/dbraw/zinc/37/71/76/1119377176.db2.gz CFPPSZIMPIFVME-XTQVGHSUSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311994847 1119396889 /nfs/dbraw/zinc/39/68/89/1119396889.db2.gz SSARSCPBBXKVOU-APWZRJJASA-N 1 3 360.448 4.288 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311994853 1119397002 /nfs/dbraw/zinc/39/70/02/1119397002.db2.gz SSARSCPBBXKVOU-QFBILLFUSA-N 1 3 360.448 4.288 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190075 1119964289 /nfs/dbraw/zinc/96/42/89/1119964289.db2.gz XSPFLSJGHYMVPU-RXVVDRJESA-N 1 3 372.582 4.160 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000191190075 1119964291 /nfs/dbraw/zinc/96/42/91/1119964291.db2.gz XSPFLSJGHYMVPU-RXVVDRJESA-N 1 3 372.582 4.160 20 0 FIADHO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132564 1120119294 /nfs/dbraw/zinc/11/92/94/1120119294.db2.gz JRXJOOUDBYLEMS-FXAWDEMLSA-N 1 3 354.542 4.119 20 0 FIADHO C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000542534259 1120435694 /nfs/dbraw/zinc/43/56/94/1120435694.db2.gz RNHNTTUBGLLMTL-DLBZAZTESA-N 1 3 350.934 4.352 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC000495548482 1120882336 /nfs/dbraw/zinc/88/23/36/1120882336.db2.gz QKTSKVNBZAVJOM-BBWFWOEESA-N 1 3 374.475 4.425 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cc(Br)ncc1F ZINC000762736728 1120957061 /nfs/dbraw/zinc/95/70/61/1120957061.db2.gz RRFLNDBMTBEWCX-KBPBESRZSA-N 1 3 372.326 4.288 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cc(Br)ncc1F ZINC000762736728 1120957059 /nfs/dbraw/zinc/95/70/59/1120957059.db2.gz RRFLNDBMTBEWCX-KBPBESRZSA-N 1 3 372.326 4.288 20 0 FIADHO c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)c2)cc1 ZINC000236738807 1120969476 /nfs/dbraw/zinc/96/94/76/1120969476.db2.gz GZVFDGSOIVFTGP-JOCHJYFZSA-N 1 3 364.533 4.272 20 0 FIADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C(C)C)CC1)c1ccccc1Cl ZINC000236840198 1120970525 /nfs/dbraw/zinc/97/05/25/1120970525.db2.gz UPDXYVVQIKNCMF-FQEVSTJZSA-N 1 3 351.966 4.185 20 0 FIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000397563464 1121223261 /nfs/dbraw/zinc/22/32/61/1121223261.db2.gz ZKWVZGAMERUQFF-KRWDZBQOSA-N 1 3 358.913 4.018 20 0 FIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000397628484 1121252154 /nfs/dbraw/zinc/25/21/54/1121252154.db2.gz MCGNVPPBPQUQHS-OAHLLOKOSA-N 1 3 364.942 4.079 20 0 FIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000397626983 1121252308 /nfs/dbraw/zinc/25/23/08/1121252308.db2.gz YJTYWBYAQTWNGZ-GOSISDBHSA-N 1 3 364.489 4.111 20 0 FIADHO OC1(C[NH2+]Cc2csc3ccccc23)CCN(Cc2ccccc2)CC1 ZINC000397685898 1121281735 /nfs/dbraw/zinc/28/17/35/1121281735.db2.gz NUSYBNCRSUQNNB-UHFFFAOYSA-N 1 3 366.530 4.018 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000123722971 1121625921 /nfs/dbraw/zinc/62/59/21/1121625921.db2.gz PFYGOFMQLKFVIV-CQSZACIVSA-N 1 3 352.400 4.498 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000123948666 1121649270 /nfs/dbraw/zinc/64/92/70/1121649270.db2.gz PVQNJSLXMBTFFJ-SFHVURJKSA-N 1 3 365.521 4.116 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000123948666 1121649283 /nfs/dbraw/zinc/64/92/83/1121649283.db2.gz PVQNJSLXMBTFFJ-SFHVURJKSA-N 1 3 365.521 4.116 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000556887498 1123164359 /nfs/dbraw/zinc/16/43/59/1123164359.db2.gz YKBVIFKIDPXNGC-QTJGBDASSA-N 1 3 363.549 4.295 20 0 FIADHO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556891906 1123179493 /nfs/dbraw/zinc/17/94/93/1123179493.db2.gz HHVRNECLRFAXGC-RJGXRXQPSA-N 1 3 358.570 4.472 20 0 FIADHO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000499160981 1123300353 /nfs/dbraw/zinc/30/03/53/1123300353.db2.gz JZPZQVCDLWUCRD-DKUWSORSSA-N 1 3 350.506 4.371 20 0 FIADHO CCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000499160982 1123300474 /nfs/dbraw/zinc/30/04/74/1123300474.db2.gz JZPZQVCDLWUCRD-KOUNCHBCSA-N 1 3 350.506 4.371 20 0 FIADHO CCCCCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC ZINC000236783544 1123564131 /nfs/dbraw/zinc/56/41/31/1123564131.db2.gz WZPZJHTZVLWOMG-IHWFROFDSA-N 1 3 360.542 4.369 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(CO)c1 ZINC000245549865 1124118082 /nfs/dbraw/zinc/11/80/82/1124118082.db2.gz GYZATURYCFVEKU-RBUKOAKNSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(CO)c1 ZINC000245549865 1124118085 /nfs/dbraw/zinc/11/80/85/1124118085.db2.gz GYZATURYCFVEKU-RBUKOAKNSA-N 1 3 352.522 4.262 20 0 FIADHO COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000245750867 1124239502 /nfs/dbraw/zinc/23/95/02/1124239502.db2.gz UBMYHFBZHNPFMH-KAOXLYBCSA-N 1 3 350.506 4.159 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654444 1124414734 /nfs/dbraw/zinc/41/47/34/1124414734.db2.gz UBGFNLDBCLUUHI-GIWBLDEGSA-N 1 3 372.553 4.256 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCCC[C@@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654444 1124414737 /nfs/dbraw/zinc/41/47/37/1124414737.db2.gz UBGFNLDBCLUUHI-GIWBLDEGSA-N 1 3 372.553 4.256 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654450 1124414777 /nfs/dbraw/zinc/41/47/77/1124414777.db2.gz UBGFNLDBCLUUHI-XPNTWCBSSA-N 1 3 372.553 4.256 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654450 1124414780 /nfs/dbraw/zinc/41/47/80/1124414780.db2.gz UBGFNLDBCLUUHI-XPNTWCBSSA-N 1 3 372.553 4.256 20 0 FIADHO CC[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000246996269 1124579854 /nfs/dbraw/zinc/57/98/54/1124579854.db2.gz KKUJHVPUVJNEPF-HMFYCAOWSA-N 1 3 354.542 4.139 20 0 FIADHO C[NH+]1CCC(N[C@@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248393932 1124760387 /nfs/dbraw/zinc/76/03/87/1124760387.db2.gz XLICAMGKZQSNEB-RTBURBONSA-N 1 3 367.940 4.077 20 0 FIADHO C[NH+]1CCC(N[C@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248393931 1124760603 /nfs/dbraw/zinc/76/06/03/1124760603.db2.gz XLICAMGKZQSNEB-RBUKOAKNSA-N 1 3 367.940 4.077 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2s1 ZINC000249192992 1124849619 /nfs/dbraw/zinc/84/96/19/1124849619.db2.gz PBGLPAFLCDRNNL-KFKAGJAMSA-N 1 3 358.551 4.320 20 0 FIADHO COc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1Cl ZINC000090468923 1124998319 /nfs/dbraw/zinc/99/83/19/1124998319.db2.gz XDHXRCLNGQKWLH-OAHLLOKOSA-N 1 3 362.901 4.140 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522827 1125000484 /nfs/dbraw/zinc/00/04/84/1125000484.db2.gz CTIHQGANNQOVFK-DBVUQKKJSA-N 1 3 362.583 4.217 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000090524220 1125000682 /nfs/dbraw/zinc/00/06/82/1125000682.db2.gz JXFBYJMUEAABCV-VDGAXYAQSA-N 1 3 356.510 4.160 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc2ccccc21 ZINC000090523361 1125000935 /nfs/dbraw/zinc/00/09/35/1125000935.db2.gz ITQAJCZDAJYIBS-RTFZILSDSA-N 1 3 352.522 4.258 20 0 FIADHO Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)oc2cc1C ZINC000090524830 1125001121 /nfs/dbraw/zinc/00/11/21/1125001121.db2.gz SOADPUBJPVQBDF-WMQCIHAUSA-N 1 3 370.537 4.468 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000091285054 1125062543 /nfs/dbraw/zinc/06/25/43/1125062543.db2.gz VOIZYOACUCSSJW-IBGZPJMESA-N 1 3 370.368 4.062 20 0 FIADHO CCCCC/C(=C\c1ccccc1)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602278694 567962719 /nfs/dbraw/zinc/96/27/19/567962719.db2.gz YDFYQMURUWZTKU-OEZHIIBRSA-N 1 3 369.597 4.408 20 0 FIADHO COc1cc([C@@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407533 1125789394 /nfs/dbraw/zinc/78/93/94/1125789394.db2.gz GASYZKZHMGLLHU-HZPDHXFCSA-N 1 3 362.514 4.459 20 0 FIADHO COc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407533 1125789396 /nfs/dbraw/zinc/78/93/96/1125789396.db2.gz GASYZKZHMGLLHU-HZPDHXFCSA-N 1 3 362.514 4.459 20 0 FIADHO Cc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483653 1081970912 /nfs/dbraw/zinc/97/09/12/1081970912.db2.gz OPBCYJSMHOUWQX-PZJWPPBQSA-N 1 3 351.494 4.098 20 0 FIADHO Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483653 1081970918 /nfs/dbraw/zinc/97/09/18/1081970918.db2.gz OPBCYJSMHOUWQX-PZJWPPBQSA-N 1 3 351.494 4.098 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000471585486 1081984500 /nfs/dbraw/zinc/98/45/00/1081984500.db2.gz MKILJLNUKXBVDB-VKGYTVAMSA-N 1 3 357.586 4.311 20 0 FIADHO Cc1ccc2ncc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2c1 ZINC000580588420 1082031834 /nfs/dbraw/zinc/03/18/34/1082031834.db2.gz PKTXAJWJEKHAJO-UHFFFAOYSA-N 1 3 374.532 4.131 20 0 FIADHO [NH3+]C1CCC(N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000581065786 1082298841 /nfs/dbraw/zinc/29/88/41/1082298841.db2.gz SQHBENKWWHGBCY-CPAJTMIGSA-N 1 3 372.896 4.060 20 0 FIADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc4c(n2)CCC4)CC3)cc1 ZINC000656449880 1082410645 /nfs/dbraw/zinc/41/06/45/1082410645.db2.gz SYJSYUIVCOWKEU-UHFFFAOYSA-N 1 3 361.533 4.058 20 0 FIADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc4c(n2)CCC4)CC3)cc1 ZINC000656449880 1082410653 /nfs/dbraw/zinc/41/06/53/1082410653.db2.gz SYJSYUIVCOWKEU-UHFFFAOYSA-N 1 3 361.533 4.058 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N1CCCCCC1 ZINC000510389114 1082470748 /nfs/dbraw/zinc/47/07/48/1082470748.db2.gz NUKMAMBTSNPFIZ-RBUKOAKNSA-N 1 3 357.542 4.122 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N1CCCCCC1 ZINC000510389114 1082470756 /nfs/dbraw/zinc/47/07/56/1082470756.db2.gz NUKMAMBTSNPFIZ-RBUKOAKNSA-N 1 3 357.542 4.122 20 0 FIADHO CCCC[C@H](CC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000581384496 1082507261 /nfs/dbraw/zinc/50/72/61/1082507261.db2.gz YQJXNHNRMSTLIS-YADHBBJMSA-N 1 3 358.570 4.474 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755902 1082872712 /nfs/dbraw/zinc/87/27/12/1082872712.db2.gz KRLPLTAAIWRVSC-ZWCUEREDSA-N 1 3 370.562 4.179 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755902 1082872715 /nfs/dbraw/zinc/87/27/15/1082872715.db2.gz KRLPLTAAIWRVSC-ZWCUEREDSA-N 1 3 370.562 4.179 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000065976544 1083904481 /nfs/dbraw/zinc/90/44/81/1083904481.db2.gz SKGKUQDJGOCUIR-UHFFFAOYSA-N 1 3 366.484 4.346 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000065976544 1083904488 /nfs/dbraw/zinc/90/44/88/1083904488.db2.gz SKGKUQDJGOCUIR-UHFFFAOYSA-N 1 3 366.484 4.346 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000511003161 1084100146 /nfs/dbraw/zinc/10/01/46/1084100146.db2.gz VETZXPSGJUPPRW-VFNWGFHPSA-N 1 3 372.484 4.113 20 0 FIADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537969586 1084319792 /nfs/dbraw/zinc/31/97/92/1084319792.db2.gz GYNFNZWWFGOFQR-HRCADAONSA-N 1 3 358.979 4.202 20 0 FIADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157120252 1084322502 /nfs/dbraw/zinc/32/25/02/1084322502.db2.gz RDNIJXJVLJFBLM-ROUUACIJSA-N 1 3 360.542 4.015 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)CC2)c1 ZINC000582032413 1084494326 /nfs/dbraw/zinc/49/43/26/1084494326.db2.gz HGLIODLLXXBCKC-NQIIRXRSSA-N 1 3 356.554 4.360 20 0 FIADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653651 1085202626 /nfs/dbraw/zinc/20/26/26/1085202626.db2.gz UCFFJHWSTKETGI-XMMPIXPASA-N 1 3 364.533 4.210 20 0 FIADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000660653651 1085202633 /nfs/dbraw/zinc/20/26/33/1085202633.db2.gz UCFFJHWSTKETGI-XMMPIXPASA-N 1 3 364.533 4.210 20 0 FIADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613878 1085699565 /nfs/dbraw/zinc/69/95/65/1085699565.db2.gz VOOCFBFUTNIQGO-QGZVFWFLSA-N 1 3 357.929 4.168 20 0 FIADHO CSC1(CN[C@H](c2ccccc2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582875250 1085874049 /nfs/dbraw/zinc/87/40/49/1085874049.db2.gz PGACLJSAFUSDRV-HXUWFJFHSA-N 1 3 358.526 4.332 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccccc1Cl ZINC000582927146 1085929575 /nfs/dbraw/zinc/92/95/75/1085929575.db2.gz STEYOLCBUXAFST-XNFNUYLZSA-N 1 3 351.966 4.041 20 0 FIADHO Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663097534 1085989975 /nfs/dbraw/zinc/98/99/75/1085989975.db2.gz YRSQGVWJRRFIFW-JOCHJYFZSA-N 1 3 352.526 4.052 20 0 FIADHO CC(C)c1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000663323976 1086413175 /nfs/dbraw/zinc/41/31/75/1086413175.db2.gz LNHUPCRNVBFHPX-QHCPKHFHSA-N 1 3 352.522 4.057 20 0 FIADHO CC(C)c1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000663323976 1086413182 /nfs/dbraw/zinc/41/31/82/1086413182.db2.gz LNHUPCRNVBFHPX-QHCPKHFHSA-N 1 3 352.522 4.057 20 0 FIADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327975 1086418555 /nfs/dbraw/zinc/41/85/55/1086418555.db2.gz WWRPAGHLKHQBBD-AWEZNQCLSA-N 1 3 374.479 4.096 20 0 FIADHO c1cc2cc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)ccc2o1 ZINC000512017741 1086650871 /nfs/dbraw/zinc/65/08/71/1086650871.db2.gz WXJQPOUBLGLRJH-UHFFFAOYSA-N 1 3 350.462 4.197 20 0 FIADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2nc3ccccc3cc2C)CC1 ZINC001167837442 1086710919 /nfs/dbraw/zinc/71/09/19/1086710919.db2.gz KKBSUCWNICPLDE-HXUWFJFHSA-N 1 3 368.569 4.176 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432410845 1086732834 /nfs/dbraw/zinc/73/28/34/1086732834.db2.gz SDVUXOBFFIYCLN-LSJNQWAISA-N 1 3 365.359 4.405 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422559 1086747730 /nfs/dbraw/zinc/74/77/30/1086747730.db2.gz FUVMRCOJSCPNJG-DYVFJYSZSA-N 1 3 357.325 4.071 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422559 1086747736 /nfs/dbraw/zinc/74/77/36/1086747736.db2.gz FUVMRCOJSCPNJG-DYVFJYSZSA-N 1 3 357.325 4.071 20 0 FIADHO Cc1cnn(C)c1CNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000512122838 1086790137 /nfs/dbraw/zinc/79/01/37/1086790137.db2.gz MUSZMVILGMOYTL-UHFFFAOYSA-N 1 3 374.532 4.281 20 0 FIADHO c1ccc(COc2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000247064234 1086980364 /nfs/dbraw/zinc/98/03/64/1086980364.db2.gz VOEXDOOKSFIQEU-YADHBBJMSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000247064234 1086980366 /nfs/dbraw/zinc/98/03/66/1086980366.db2.gz VOEXDOOKSFIQEU-YADHBBJMSA-N 1 3 350.506 4.025 20 0 FIADHO Fc1ccc(CC[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(Cl)c1 ZINC000564529783 1086996389 /nfs/dbraw/zinc/99/63/89/1086996389.db2.gz XCZPKVWKKCUFTG-SFHVURJKSA-N 1 3 360.904 4.176 20 0 FIADHO Cc1ccc(NC(=O)c2ccc(Nc3ccncc3)cc2)c(C[NH+](C)C)c1 ZINC000081046804 1087293125 /nfs/dbraw/zinc/29/31/25/1087293125.db2.gz OCVXIVIGWQNEGB-UHFFFAOYSA-N 1 3 360.461 4.448 20 0 FIADHO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000090936600 1087411289 /nfs/dbraw/zinc/41/12/89/1087411289.db2.gz AGWQLXYDAYOESO-GOSISDBHSA-N 1 3 374.569 4.269 20 0 FIADHO FCC1(CF)CC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000657878333 1087521557 /nfs/dbraw/zinc/52/15/57/1087521557.db2.gz GSJSOJHGQRTNBK-UHFFFAOYSA-N 1 3 356.888 4.229 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000658165693 1087759596 /nfs/dbraw/zinc/75/95/96/1087759596.db2.gz KCKWIOGVGLAGQA-JOCHJYFZSA-N 1 3 353.510 4.043 20 0 FIADHO CC(C)(C)OC(=O)C(C)(C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000424182665 1087812289 /nfs/dbraw/zinc/81/22/89/1087812289.db2.gz ASLQMSQFMZOTGL-UHFFFAOYSA-N 1 3 352.563 4.131 20 0 FIADHO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000186518827 1087916633 /nfs/dbraw/zinc/91/66/33/1087916633.db2.gz LEERLPGVMBDCHA-BKVYNOPKSA-N 1 3 364.574 4.130 20 0 FIADHO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000186518868 1087916725 /nfs/dbraw/zinc/91/67/25/1087916725.db2.gz LEERLPGVMBDCHA-BMHOQUIDSA-N 1 3 364.574 4.130 20 0 FIADHO CN(C)Cc1ccc(-c2noc(CC[C@@H]([NH3+])CC3CCCCC3)n2)cc1 ZINC000424333836 1087926837 /nfs/dbraw/zinc/92/68/37/1087926837.db2.gz DYPKWKKAYNJCDL-LJQANCHMSA-N 1 3 356.514 4.029 20 0 FIADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000188286541 1088921718 /nfs/dbraw/zinc/92/17/18/1088921718.db2.gz RPDPKJGSKOKQBH-HNNXBMFYSA-N 1 3 355.507 4.088 20 0 FIADHO Cc1ccccc1CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000505607789 1089288424 /nfs/dbraw/zinc/28/84/24/1089288424.db2.gz KHMXSAQMSJYVJL-UHFFFAOYSA-N 1 3 351.538 4.157 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000163782175 1089784047 /nfs/dbraw/zinc/78/40/47/1089784047.db2.gz YNOXVWFEPUOHCI-GKVSMKOHSA-N 1 3 358.551 4.117 20 0 FIADHO CO[C@H](CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392955 1090018617 /nfs/dbraw/zinc/01/86/17/1090018617.db2.gz FUBBJGNKRPTJHF-VNHKHXMHSA-N 1 3 352.522 4.120 20 0 FIADHO CO[C@H](CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392955 1090018629 /nfs/dbraw/zinc/01/86/29/1090018629.db2.gz FUBBJGNKRPTJHF-VNHKHXMHSA-N 1 3 352.522 4.120 20 0 FIADHO FC(F)(F)[C@@H]1CC(N[C@H]2CC[NH2+]C23CCCC3)C[C@@H](C(F)(F)F)C1 ZINC000925527632 1090270280 /nfs/dbraw/zinc/27/02/80/1090270280.db2.gz WAKSJMKUYJUCGV-GVXVVHGQSA-N 1 3 358.370 4.160 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000163937316 1090280231 /nfs/dbraw/zinc/28/02/31/1090280231.db2.gz BICOZYLOIZBTHV-WXTAPIANSA-N 1 3 370.562 4.261 20 0 FIADHO Cc1cccc(CN(CCCN2CC[NH+](C(C)C)CC2)Cc2ccco2)c1 ZINC000500132080 1091058295 /nfs/dbraw/zinc/05/82/95/1091058295.db2.gz LFZHMIWUQIOEDF-UHFFFAOYSA-N 1 3 369.553 4.006 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000192682738 1091185588 /nfs/dbraw/zinc/18/55/88/1091185588.db2.gz PZZCAJAKUOAZEQ-QHCPKHFHSA-N 1 3 367.537 4.444 20 0 FIADHO COCc1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000388459184 1091363192 /nfs/dbraw/zinc/36/31/92/1091363192.db2.gz MCDWMOWSJHAELR-HSZRJFAPSA-N 1 3 352.522 4.225 20 0 FIADHO Cc1c2cccc(Cl)c2sc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000508376182 1092306222 /nfs/dbraw/zinc/30/62/22/1092306222.db2.gz OJJLXSSHRMFTRB-UHFFFAOYSA-N 1 3 366.958 4.406 20 0 FIADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(Br)cc2F)C1 ZINC000520949871 1092376290 /nfs/dbraw/zinc/37/62/90/1092376290.db2.gz UGAFKSHMMVTFBB-CQSZACIVSA-N 1 3 357.311 4.190 20 0 FIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(Br)cc2F)C1 ZINC000520949871 1092376300 /nfs/dbraw/zinc/37/63/00/1092376300.db2.gz UGAFKSHMMVTFBB-CQSZACIVSA-N 1 3 357.311 4.190 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000512461871 1092426022 /nfs/dbraw/zinc/42/60/22/1092426022.db2.gz GFTZLCUYOOMNER-UHFFFAOYSA-N 1 3 368.496 4.243 20 0 FIADHO C[N@H+](Cc1ccccc1)CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000512461871 1092426026 /nfs/dbraw/zinc/42/60/26/1092426026.db2.gz GFTZLCUYOOMNER-UHFFFAOYSA-N 1 3 368.496 4.243 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(Br)cc1F ZINC000521816802 1092936087 /nfs/dbraw/zinc/93/60/87/1092936087.db2.gz ITIXRTDTMNNSKY-CQSZACIVSA-N 1 3 357.311 4.332 20 0 FIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(Br)cc1F ZINC000521816802 1092936090 /nfs/dbraw/zinc/93/60/90/1092936090.db2.gz ITIXRTDTMNNSKY-CQSZACIVSA-N 1 3 357.311 4.332 20 0 FIADHO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC000512614115 1092992533 /nfs/dbraw/zinc/99/25/33/1092992533.db2.gz UXGIGPGNHMPXGI-NJDAHSKKSA-N 1 3 369.578 4.193 20 0 FIADHO CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000512636275 1093052228 /nfs/dbraw/zinc/05/22/28/1093052228.db2.gz KWGPJIKUDMDHPD-HLAWJBBLSA-N 1 3 369.578 4.138 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C[C@H](C)N1Cc1ccccc1 ZINC001168017513 1093151297 /nfs/dbraw/zinc/15/12/97/1093151297.db2.gz AVOOOVGUTFYMBP-KLXZVUIASA-N 1 3 355.570 4.033 20 0 FIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(CO)CC(c4ccccc4)C3)CC2)C1 ZINC000433094077 1093241278 /nfs/dbraw/zinc/24/12/78/1093241278.db2.gz TXUPQOAJYVMKOG-LDOASJGRSA-N 1 3 370.581 4.175 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363054 1094080285 /nfs/dbraw/zinc/08/02/85/1094080285.db2.gz GUFMEWKIRFLSPN-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363054 1094080291 /nfs/dbraw/zinc/08/02/91/1094080291.db2.gz GUFMEWKIRFLSPN-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H](CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)N(C)Cc1ccccc1 ZINC000513364185 1094080417 /nfs/dbraw/zinc/08/04/17/1094080417.db2.gz GYTAHINGDZCCEB-YKSBVNFPSA-N 1 3 374.532 4.261 20 0 FIADHO C[C@H](CC[NH2+][C@H](Cc1ccccn1)c1cccnc1)N(C)Cc1ccccc1 ZINC000513364183 1094080911 /nfs/dbraw/zinc/08/09/11/1094080911.db2.gz GYTAHINGDZCCEB-HYBUGGRVSA-N 1 3 374.532 4.261 20 0 FIADHO CN(Cc1coc(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029555 1094429677 /nfs/dbraw/zinc/42/96/77/1094429677.db2.gz RUDFPPKIEPHRMU-UHFFFAOYSA-N 1 3 362.477 4.085 20 0 FIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000474735205 1094548953 /nfs/dbraw/zinc/54/89/53/1094548953.db2.gz WTYKWXZPCSVLAR-SJBKTWHCSA-N 1 3 366.549 4.341 20 0 FIADHO Clc1ccccc1-c1csc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325580 1094889441 /nfs/dbraw/zinc/88/94/41/1094889441.db2.gz IVQSLXDWZDTNJP-GJZGRUSLSA-N 1 3 361.942 4.285 20 0 FIADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000420353593 1094896627 /nfs/dbraw/zinc/89/66/27/1094896627.db2.gz APQAQNLGHVTCFL-JOCHJYFZSA-N 1 3 365.521 4.179 20 0 FIADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3Oc3ccccc3)CC2)C1 ZINC000420386642 1094907313 /nfs/dbraw/zinc/90/73/13/1094907313.db2.gz JBPMWPQZQLCKKH-NZQKXSOJSA-N 1 3 366.505 4.197 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458545 1095487903 /nfs/dbraw/zinc/48/79/03/1095487903.db2.gz CXQQBSQIXWNWTF-AZUAARDMSA-N 1 3 352.526 4.171 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CCSCC5)[C@H]3C2)cc1 ZINC000421384113 1095586823 /nfs/dbraw/zinc/58/68/23/1095586823.db2.gz OWHBYWHNGQTVFA-WOZUAGRISA-N 1 3 356.579 4.020 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000522799478 1095690623 /nfs/dbraw/zinc/69/06/23/1095690623.db2.gz DSWPFAVZROZDKE-NJDAHSKKSA-N 1 3 365.565 4.391 20 0 FIADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000444166191 1095792180 /nfs/dbraw/zinc/79/21/80/1095792180.db2.gz ISZRUJCOCPXNRI-OAHLLOKOSA-N 1 3 372.340 4.128 20 0 FIADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000444166191 1095792195 /nfs/dbraw/zinc/79/21/95/1095792195.db2.gz ISZRUJCOCPXNRI-OAHLLOKOSA-N 1 3 372.340 4.128 20 0 FIADHO c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)[nH]1 ZINC000503123194 1096075251 /nfs/dbraw/zinc/07/52/51/1096075251.db2.gz RJJXXAANOCTCBZ-BGWNEDDSSA-N 1 3 359.517 4.211 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccsc2S1 ZINC000272774861 1096210706 /nfs/dbraw/zinc/21/07/06/1096210706.db2.gz UETWOXFXJOGREN-UCLAIMLFSA-N 1 3 374.575 4.030 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccsc2S1 ZINC000272774861 1096210711 /nfs/dbraw/zinc/21/07/11/1096210711.db2.gz UETWOXFXJOGREN-UCLAIMLFSA-N 1 3 374.575 4.030 20 0 FIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414662431 1096372025 /nfs/dbraw/zinc/37/20/25/1096372025.db2.gz QFNRHQAIUWOBTI-ICSRJNTNSA-N 1 3 360.505 4.017 20 0 FIADHO CCc1cc(OC)ccc1CN1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000503560712 1096464473 /nfs/dbraw/zinc/46/44/73/1096464473.db2.gz ZKOYQNOJTSBWAR-JOCHJYFZSA-N 1 3 367.537 4.139 20 0 FIADHO CCc1cc(OC)ccc1CN1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000503560712 1096464478 /nfs/dbraw/zinc/46/44/78/1096464478.db2.gz ZKOYQNOJTSBWAR-JOCHJYFZSA-N 1 3 367.537 4.139 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cnccc1N ZINC000422733560 1096465145 /nfs/dbraw/zinc/46/51/45/1096465145.db2.gz RDXZPDSHKWDGIE-KRWDZBQOSA-N 1 3 352.526 4.109 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnccc1N ZINC000422733560 1096465149 /nfs/dbraw/zinc/46/51/49/1096465149.db2.gz RDXZPDSHKWDGIE-KRWDZBQOSA-N 1 3 352.526 4.109 20 0 FIADHO Cc1[nH]c2ccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2c1C ZINC000422724314 1096472748 /nfs/dbraw/zinc/47/27/48/1096472748.db2.gz VIALQVBLFMPTRJ-GGAORHGYSA-N 1 3 361.489 4.130 20 0 FIADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCSc1ccccc1Br ZINC000422759084 1096474836 /nfs/dbraw/zinc/47/48/36/1096474836.db2.gz OVAJGZATPZWIQC-HIFRSBDPSA-N 1 3 357.361 4.038 20 0 FIADHO [NH3+][C@@H]1C[C@@H](NCC2(c3cccc(Cl)c3)CCOCC2)c2ccccc21 ZINC000422768369 1096485523 /nfs/dbraw/zinc/48/55/23/1096485523.db2.gz SYAPFYCKQAVCJG-WOJBJXKFSA-N 1 3 356.897 4.123 20 0 FIADHO CCCOc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422785841 1096489939 /nfs/dbraw/zinc/48/99/39/1096489939.db2.gz RUWHERPACBBDEO-LXBDKUERSA-N 1 3 366.505 4.382 20 0 FIADHO COc1cc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(C)C ZINC000422805430 1096496431 /nfs/dbraw/zinc/49/64/31/1096496431.db2.gz GSIYKGYULUUKPT-HUUCEWRRSA-N 1 3 357.498 4.056 20 0 FIADHO c1nc2ccccc2n1Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422828251 1096500687 /nfs/dbraw/zinc/50/06/87/1096500687.db2.gz ODRSJNJTAHLAAZ-FDFHNCONSA-N 1 3 374.532 4.095 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(OC2CCCCC2)cc1 ZINC000422851351 1096505001 /nfs/dbraw/zinc/50/50/01/1096505001.db2.gz ORKSDAHEODMCIU-INIZCTEOSA-N 1 3 353.510 4.411 20 0 FIADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422880929 1096511211 /nfs/dbraw/zinc/51/12/11/1096511211.db2.gz XVDNKVNBKKXYNA-LRDDRELGSA-N 1 3 367.946 4.176 20 0 FIADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc(C2CCCCC2)cs1 ZINC000422911369 1096521113 /nfs/dbraw/zinc/52/11/13/1096521113.db2.gz KPUSVCHKBDTWAC-APWZRJJASA-N 1 3 357.567 4.281 20 0 FIADHO Cc1sc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])nc1-c1ccccc1 ZINC000422927543 1096526933 /nfs/dbraw/zinc/52/69/33/1096526933.db2.gz GQWYIYNTFAWMLB-UZLBHIALSA-N 1 3 365.546 4.209 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423096962 1096573961 /nfs/dbraw/zinc/57/39/61/1096573961.db2.gz QDXAQPSXTVWVGW-YEWWUXTCSA-N 1 3 363.427 4.464 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423096961 1096574264 /nfs/dbraw/zinc/57/42/64/1096574264.db2.gz QDXAQPSXTVWVGW-DDUZABMNSA-N 1 3 363.427 4.464 20 0 FIADHO CSc1ccc([C@@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112052 1096585743 /nfs/dbraw/zinc/58/57/43/1096585743.db2.gz XGZVPQVDHFNTRE-QFIXIFRTSA-N 1 3 354.519 4.315 20 0 FIADHO Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000423169031 1096600850 /nfs/dbraw/zinc/60/08/50/1096600850.db2.gz IOXHKYVOQWBESD-UPVQGACJSA-N 1 3 358.485 4.494 20 0 FIADHO Fc1cccc(Cl)c1[C@@H]1C[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172910 1096603165 /nfs/dbraw/zinc/60/31/65/1096603165.db2.gz VXVHZQRNSJKUDA-XXLATIFVSA-N 1 3 372.871 4.181 20 0 FIADHO Brc1ccccc1[C@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423254520 1096631433 /nfs/dbraw/zinc/63/14/33/1096631433.db2.gz YHQICKSSCPSHFQ-DNVCBOLYSA-N 1 3 359.311 4.128 20 0 FIADHO Brc1ccccc1[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423254522 1096631927 /nfs/dbraw/zinc/63/19/27/1096631927.db2.gz YHQICKSSCPSHFQ-KXBFYZLASA-N 1 3 359.311 4.128 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CCNC[C@H]2C)nc1 ZINC000423406257 1096673900 /nfs/dbraw/zinc/67/39/00/1096673900.db2.gz UMYLPTRRAHIGLJ-URZJWIJPSA-N 1 3 371.956 4.039 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000423482436 1096696980 /nfs/dbraw/zinc/69/69/80/1096696980.db2.gz XRMPACFEBABUFD-SQMBMXPBSA-N 1 3 367.512 4.230 20 0 FIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000423507781 1096702158 /nfs/dbraw/zinc/70/21/58/1096702158.db2.gz QKOGOLFSIAQYQT-QRWLVFNGSA-N 1 3 369.900 4.052 20 0 FIADHO COc1cccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2Cl)c1 ZINC000423542236 1096717466 /nfs/dbraw/zinc/71/74/66/1096717466.db2.gz MEUXNVLJQQEPPS-IDVKNYFZSA-N 1 3 370.924 4.416 20 0 FIADHO COc1ccccc1[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1Cl ZINC000423554576 1096721387 /nfs/dbraw/zinc/72/13/87/1096721387.db2.gz WWOAWLSFXQQAEY-NRVIRDBHSA-N 1 3 370.924 4.416 20 0 FIADHO c1csc(C[N@H+]2CCC[C@@H](CNCc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275636 1098901467 /nfs/dbraw/zinc/90/14/67/1098901467.db2.gz PHTJUNMVTQKCAA-HNNXBMFYSA-N 1 3 372.563 4.202 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275636 1098901469 /nfs/dbraw/zinc/90/14/69/1098901469.db2.gz PHTJUNMVTQKCAA-HNNXBMFYSA-N 1 3 372.563 4.202 20 0 FIADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000436296608 1098910180 /nfs/dbraw/zinc/91/01/80/1098910180.db2.gz VFUZGRDKELLIDE-XLIONFOSSA-N 1 3 360.542 4.022 20 0 FIADHO COc1ccc(C[C@@H](C)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296608 1098910181 /nfs/dbraw/zinc/91/01/81/1098910181.db2.gz VFUZGRDKELLIDE-XLIONFOSSA-N 1 3 360.542 4.022 20 0 FIADHO CCCO[C@@H]1CCCN(CC(C)C[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000533280628 1098944420 /nfs/dbraw/zinc/94/44/20/1098944420.db2.gz LRGIUMLOLVNAOK-FGZHOGPDSA-N 1 3 368.606 4.185 20 0 FIADHO CCCO[C@@H]1CCCN(CC(C)C[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000533280628 1098944422 /nfs/dbraw/zinc/94/44/22/1098944422.db2.gz LRGIUMLOLVNAOK-FGZHOGPDSA-N 1 3 368.606 4.185 20 0 FIADHO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000437083789 1099589628 /nfs/dbraw/zinc/58/96/28/1099589628.db2.gz JDDREDCXJUCMKR-MANSERQUSA-N 1 3 354.460 4.464 20 0 FIADHO C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508714127 1099883727 /nfs/dbraw/zinc/88/37/27/1099883727.db2.gz URYPLNOZYSXPLR-GHTZIAJQSA-N 1 3 365.521 4.013 20 0 FIADHO CC(C)Oc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162576808 1099884921 /nfs/dbraw/zinc/88/49/21/1099884921.db2.gz YRQDOISNLLZIHK-SFHVURJKSA-N 1 3 356.510 4.265 20 0 FIADHO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508713938 1099886086 /nfs/dbraw/zinc/88/60/86/1099886086.db2.gz AQHMRHPIGYHDDE-YLJYHZDGSA-N 1 3 374.475 4.331 20 0 FIADHO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000508713202 1099903770 /nfs/dbraw/zinc/90/37/70/1099903770.db2.gz SLLUZDUZQICUJO-OFNKIYASSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000508713202 1099903778 /nfs/dbraw/zinc/90/37/78/1099903778.db2.gz SLLUZDUZQICUJO-OFNKIYASSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508713202 1099903781 /nfs/dbraw/zinc/90/37/81/1099903781.db2.gz SLLUZDUZQICUJO-OFNKIYASSA-N 1 3 374.532 4.181 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459392056 1100116222 /nfs/dbraw/zinc/11/62/22/1100116222.db2.gz AQSYZEUWGFZAQP-UHFFFAOYSA-N 1 3 370.928 4.009 20 0 FIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000536664485 1100135761 /nfs/dbraw/zinc/13/57/61/1100135761.db2.gz FJIIBEWNFLEUIP-FQEVSTJZSA-N 1 3 370.585 4.158 20 0 FIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000536664485 1100135770 /nfs/dbraw/zinc/13/57/70/1100135770.db2.gz FJIIBEWNFLEUIP-FQEVSTJZSA-N 1 3 370.585 4.158 20 0 FIADHO Clc1ccc2c(c1Cl)OC[C@H]2NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459431636 1100168552 /nfs/dbraw/zinc/16/85/52/1100168552.db2.gz SBBDRDYZZLIHJM-MRXNPFEDSA-N 1 3 364.276 4.081 20 0 FIADHO CCN(Cc1cccc(COC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536708663 1100226515 /nfs/dbraw/zinc/22/65/15/1100226515.db2.gz LZGMJIAPVFEFMJ-QHCPKHFHSA-N 1 3 352.522 4.177 20 0 FIADHO CCN(Cc1cccc(COC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536708663 1100226520 /nfs/dbraw/zinc/22/65/20/1100226520.db2.gz LZGMJIAPVFEFMJ-QHCPKHFHSA-N 1 3 352.522 4.177 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[NH+]1CCC(C)CC1 ZINC000517537323 1100475535 /nfs/dbraw/zinc/47/55/35/1100475535.db2.gz QEQXMSGDSJPLAX-UHFFFAOYSA-N 1 3 369.347 4.059 20 0 FIADHO CC(C)COc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000518277620 1101061562 /nfs/dbraw/zinc/06/15/62/1101061562.db2.gz ZATHUHSRXURPDK-QHCPKHFHSA-N 1 3 366.549 4.376 20 0 FIADHO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000426345731 1101322052 /nfs/dbraw/zinc/32/20/52/1101322052.db2.gz NCDAAWIKHKPSAK-HRAATJIYSA-N 1 3 356.535 4.005 20 0 FIADHO [NH3+][C@@H]1CCC[C@@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414999511 1101483627 /nfs/dbraw/zinc/48/36/27/1101483627.db2.gz JEIVHIOUXMTUSS-IUODEOHRSA-N 1 3 369.456 4.436 20 0 FIADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537190271 1101524643 /nfs/dbraw/zinc/52/46/43/1101524643.db2.gz YVYNWLTWZUIEAF-FRGLQRNOSA-N 1 3 362.517 4.498 20 0 FIADHO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537190013 1101542474 /nfs/dbraw/zinc/54/24/74/1101542474.db2.gz OBZABMVZXSLYRQ-VCOUNFBDSA-N 1 3 372.553 4.015 20 0 FIADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001168169609 1101871448 /nfs/dbraw/zinc/87/14/48/1101871448.db2.gz ZMTQQAAEIZNVPR-INIZCTEOSA-N 1 3 360.904 4.446 20 0 FIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996901 1101958478 /nfs/dbraw/zinc/95/84/78/1101958478.db2.gz SXEYZULUSUOOGX-FIKGOQFSSA-N 1 3 356.485 4.396 20 0 FIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996901 1101958480 /nfs/dbraw/zinc/95/84/80/1101958480.db2.gz SXEYZULUSUOOGX-FIKGOQFSSA-N 1 3 356.485 4.396 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000415014341 1102260831 /nfs/dbraw/zinc/26/08/31/1102260831.db2.gz ZINLSIXHJJIAQL-RYKRPPSOSA-N 1 3 358.423 4.230 20 0 FIADHO Cn1cc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783437 1102295068 /nfs/dbraw/zinc/29/50/68/1102295068.db2.gz ZXDJQUTWBRFZLD-VXKWHMMOSA-N 1 3 360.505 4.012 20 0 FIADHO Cn1cc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783437 1102295074 /nfs/dbraw/zinc/29/50/74/1102295074.db2.gz ZXDJQUTWBRFZLD-VXKWHMMOSA-N 1 3 360.505 4.012 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(CO)c1 ZINC000121224647 1102348843 /nfs/dbraw/zinc/34/88/43/1102348843.db2.gz GYZATURYCFVEKU-MOPGFXCFSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(CO)c1 ZINC000121224647 1102348856 /nfs/dbraw/zinc/34/88/56/1102348856.db2.gz GYZATURYCFVEKU-MOPGFXCFSA-N 1 3 352.522 4.262 20 0 FIADHO Fc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969402 1102370328 /nfs/dbraw/zinc/37/03/28/1102370328.db2.gz BSVRKFCGVXCSCK-GLCCWIKHSA-N 1 3 372.528 4.288 20 0 FIADHO Fc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969402 1102370337 /nfs/dbraw/zinc/37/03/37/1102370337.db2.gz BSVRKFCGVXCSCK-GLCCWIKHSA-N 1 3 372.528 4.288 20 0 FIADHO CN(CC(c1ccc(F)cc1)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262030953 1102377789 /nfs/dbraw/zinc/37/77/89/1102377789.db2.gz XEOCRBWSMWPTQK-WCRBZPEASA-N 1 3 356.460 4.312 20 0 FIADHO CC1CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001168211350 1102473221 /nfs/dbraw/zinc/47/32/21/1102473221.db2.gz CUCGQOUXJHGXAA-LWZIIBGRSA-N 1 3 360.586 4.026 20 0 FIADHO CC1CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001168211350 1102473238 /nfs/dbraw/zinc/47/32/38/1102473238.db2.gz CUCGQOUXJHGXAA-LWZIIBGRSA-N 1 3 360.586 4.026 20 0 FIADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886444 1102658304 /nfs/dbraw/zinc/65/83/04/1102658304.db2.gz PDTVVMMAYCVIDK-XPWALMASSA-N 1 3 370.581 4.330 20 0 FIADHO CCN(Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660320 1102784531 /nfs/dbraw/zinc/78/45/31/1102784531.db2.gz CNCSFDFPLCPDBX-HSZRJFAPSA-N 1 3 374.532 4.216 20 0 FIADHO CCN(Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660320 1102784534 /nfs/dbraw/zinc/78/45/34/1102784534.db2.gz CNCSFDFPLCPDBX-HSZRJFAPSA-N 1 3 374.532 4.216 20 0 FIADHO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000459358597 1102912418 /nfs/dbraw/zinc/91/24/18/1102912418.db2.gz BKTSKKLISONWFQ-SNXGKTBFSA-N 1 3 362.517 4.353 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CC[C@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265619 1103023820 /nfs/dbraw/zinc/02/38/20/1103023820.db2.gz WZSJKWBFFVXCFF-VABKMULXSA-N 1 3 368.565 4.084 20 0 FIADHO COc1ccc(C2([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)CC2)cc1 ZINC000507519400 1103443528 /nfs/dbraw/zinc/44/35/28/1103443528.db2.gz IEXYWXKDJFBEKV-WTIAFYNJSA-N 1 3 362.517 4.185 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404418 1105086838 /nfs/dbraw/zinc/08/68/38/1105086838.db2.gz VEFFDCGSLILGOV-UYAOXDASSA-N 1 3 350.506 4.401 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404312 1105087409 /nfs/dbraw/zinc/08/74/09/1105087409.db2.gz VEFFDCGSLILGOV-AZUAARDMSA-N 1 3 350.506 4.401 20 0 FIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152406698 1105087922 /nfs/dbraw/zinc/08/79/22/1105087922.db2.gz AIKTVXSDKUICLE-ZWKOTPCHSA-N 1 3 350.506 4.497 20 0 FIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406698 1105087929 /nfs/dbraw/zinc/08/79/29/1105087929.db2.gz AIKTVXSDKUICLE-ZWKOTPCHSA-N 1 3 350.506 4.497 20 0 FIADHO COc1ccc2nc(CNC3CCC([NH+]4CCC(C)CC4)CC3)sc2c1 ZINC000474006511 1105128945 /nfs/dbraw/zinc/12/89/45/1105128945.db2.gz OSTYLJNKUURNDQ-UHFFFAOYSA-N 1 3 373.566 4.438 20 0 FIADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530220508 1106915202 /nfs/dbraw/zinc/91/52/02/1106915202.db2.gz NOOIICFUAVILAO-SBHAEUEKSA-N 1 3 354.881 4.173 20 0 FIADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000475485009 1107512853 /nfs/dbraw/zinc/51/28/53/1107512853.db2.gz FXBLGKXGZFPYPH-QFIPXVFZSA-N 1 3 367.512 4.135 20 0 FIADHO CN(Cc1ccccc1-c1ccnn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508504548 1108066552 /nfs/dbraw/zinc/06/65/52/1108066552.db2.gz NASUXRGCXLCIAG-NRFANRHFSA-N 1 3 374.532 4.041 20 0 FIADHO CN(Cc1ccccc1-c1ccnn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508504548 1108066568 /nfs/dbraw/zinc/06/65/68/1108066568.db2.gz NASUXRGCXLCIAG-NRFANRHFSA-N 1 3 374.532 4.041 20 0 FIADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000531705510 1108084457 /nfs/dbraw/zinc/08/44/57/1108084457.db2.gz CZEWRWWHWABVMI-OPAMFIHVSA-N 1 3 356.485 4.179 20 0 FIADHO COc1ccc(C[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692700 1108097783 /nfs/dbraw/zinc/09/77/83/1108097783.db2.gz VUNSVBBOLJTPGQ-MONBJTKQSA-N 1 3 368.521 4.060 20 0 FIADHO COc1ccc(C[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692700 1108097797 /nfs/dbraw/zinc/09/77/97/1108097797.db2.gz VUNSVBBOLJTPGQ-MONBJTKQSA-N 1 3 368.521 4.060 20 0 FIADHO CCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000453186673 1108255582 /nfs/dbraw/zinc/25/55/82/1108255582.db2.gz WZMBFWNAUUPWLN-AZUAARDMSA-N 1 3 352.526 4.171 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218069 1108288636 /nfs/dbraw/zinc/28/86/36/1108288636.db2.gz GGPWCKDXEUDOFC-XZOQPEGZSA-N 1 3 368.565 4.084 20 0 FIADHO C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000453270582 1108345441 /nfs/dbraw/zinc/34/54/41/1108345441.db2.gz OKCRATLMOPVHSR-LLGFUMIMSA-N 1 3 354.494 4.190 20 0 FIADHO c1ccc2c(c1)CCSC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532200117 1108704871 /nfs/dbraw/zinc/70/48/71/1108704871.db2.gz QOHHIRVQQXKALK-JOCHJYFZSA-N 1 3 352.547 4.403 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CSCCc4ccccc43)C2)cc1 ZINC000532216049 1108715020 /nfs/dbraw/zinc/71/50/20/1108715020.db2.gz QDDDFBWHAXXTER-OFNKIYASSA-N 1 3 366.574 4.171 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000532227436 1108723769 /nfs/dbraw/zinc/72/37/69/1108723769.db2.gz NTAZOQYEWXNMSL-XMSQKQJNSA-N 1 3 356.485 4.050 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000532227436 1108723778 /nfs/dbraw/zinc/72/37/78/1108723778.db2.gz NTAZOQYEWXNMSL-XMSQKQJNSA-N 1 3 356.485 4.050 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000532227435 1108724001 /nfs/dbraw/zinc/72/40/01/1108724001.db2.gz NTAZOQYEWXNMSL-PGRDOPGGSA-N 1 3 356.485 4.050 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000532227435 1108724013 /nfs/dbraw/zinc/72/40/13/1108724013.db2.gz NTAZOQYEWXNMSL-PGRDOPGGSA-N 1 3 356.485 4.050 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000524177137 1108885831 /nfs/dbraw/zinc/88/58/31/1108885831.db2.gz RIALHPQMSDKWFR-UHFFFAOYSA-N 1 3 373.585 4.016 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000524177137 1108885844 /nfs/dbraw/zinc/88/58/44/1108885844.db2.gz RIALHPQMSDKWFR-UHFFFAOYSA-N 1 3 373.585 4.016 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000524812103 1109161914 /nfs/dbraw/zinc/16/19/14/1109161914.db2.gz OMWYUTXFAYSGLR-KDURUIRLSA-N 1 3 352.522 4.161 20 0 FIADHO COC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447563480 1109583025 /nfs/dbraw/zinc/58/30/25/1109583025.db2.gz QAAAYCKXEVCNRD-NEWJYFPISA-N 1 3 364.533 4.029 20 0 FIADHO COC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447563480 1109583028 /nfs/dbraw/zinc/58/30/28/1109583028.db2.gz QAAAYCKXEVCNRD-NEWJYFPISA-N 1 3 364.533 4.029 20 0 FIADHO Fc1cccc(F)c1-c1ncc(C[NH2+]C2CCN(C3CCC3)CC2)s1 ZINC000449097336 1109975394 /nfs/dbraw/zinc/97/53/94/1109975394.db2.gz LFDRJKCORZCHHQ-UHFFFAOYSA-N 1 3 363.477 4.195 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000449089063 1109977969 /nfs/dbraw/zinc/97/79/69/1109977969.db2.gz IUGMLVPUVCUJIA-LVBITLCTSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000449089063 1109977970 /nfs/dbraw/zinc/97/79/70/1109977970.db2.gz IUGMLVPUVCUJIA-LVBITLCTSA-N 1 3 367.306 4.051 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc3c(OC)cccc23)[C@H](C)C1 ZINC000449137084 1109983949 /nfs/dbraw/zinc/98/39/49/1109983949.db2.gz DJJXNOLKXCRUQB-XMSQKQJNSA-N 1 3 370.537 4.075 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc3c(OC)cccc23)[C@H](C)C1 ZINC000449137084 1109983951 /nfs/dbraw/zinc/98/39/51/1109983951.db2.gz DJJXNOLKXCRUQB-XMSQKQJNSA-N 1 3 370.537 4.075 20 0 FIADHO CO[C@H](CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(F)(F)F ZINC000449270384 1110012377 /nfs/dbraw/zinc/01/23/77/1110012377.db2.gz QLYGSNKQMIVBJS-OAHLLOKOSA-N 1 3 352.485 4.223 20 0 FIADHO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000449298256 1110020320 /nfs/dbraw/zinc/02/03/20/1110020320.db2.gz JBPMSWBUUHUWOM-FVKWTLKZSA-N 1 3 367.306 4.182 20 0 FIADHO COc1ccc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)cn1 ZINC000528854470 1110136099 /nfs/dbraw/zinc/13/60/99/1110136099.db2.gz VNLIRYXNRQPCIW-HSZRJFAPSA-N 1 3 365.521 4.317 20 0 FIADHO c1c(CN2CCC(CCC[NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000538750840 1111281329 /nfs/dbraw/zinc/28/13/29/1111281329.db2.gz BLNAJACPSBFTGE-UHFFFAOYSA-N 1 3 352.526 4.165 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000539072431 1111419313 /nfs/dbraw/zinc/41/93/13/1111419313.db2.gz RMCHPOUSTDYFHY-OTWHNJEPSA-N 1 3 370.537 4.388 20 0 FIADHO CCCN1CCC([NH2+][C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539296722 1111506537 /nfs/dbraw/zinc/50/65/37/1111506537.db2.gz KGSLQOLNNHKDBE-PMACEKPBSA-N 1 3 367.940 4.078 20 0 FIADHO CC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000552062517 1111563042 /nfs/dbraw/zinc/56/30/42/1111563042.db2.gz ZZXNOASOXDEVDS-FDFHNCONSA-N 1 3 356.554 4.084 20 0 FIADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552247506 1111637604 /nfs/dbraw/zinc/63/76/04/1111637604.db2.gz RXKMWARPJAPIJN-SFHVURJKSA-N 1 3 374.447 4.127 20 0 FIADHO CCCN1CCC([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000552323975 1111669219 /nfs/dbraw/zinc/66/92/19/1111669219.db2.gz XHSRVAZPXQTEGX-FQEVSTJZSA-N 1 3 350.934 4.272 20 0 FIADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000479348631 1111995591 /nfs/dbraw/zinc/99/55/91/1111995591.db2.gz QYMHSSAOEJIVIE-QFIPXVFZSA-N 1 3 366.553 4.352 20 0 FIADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000479348631 1111995593 /nfs/dbraw/zinc/99/55/93/1111995593.db2.gz QYMHSSAOEJIVIE-QFIPXVFZSA-N 1 3 366.553 4.352 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CCCc4nn(C)cc43)cc2)C1 ZINC000479363208 1112006599 /nfs/dbraw/zinc/00/65/99/1112006599.db2.gz PKJZDGMOLBFEPQ-SVMVAKDDSA-N 1 3 366.553 4.065 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCCc4nn(C)cc43)cc2)C1 ZINC000479363208 1112006600 /nfs/dbraw/zinc/00/66/00/1112006600.db2.gz PKJZDGMOLBFEPQ-SVMVAKDDSA-N 1 3 366.553 4.065 20 0 FIADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCS2 ZINC000479466315 1112042031 /nfs/dbraw/zinc/04/20/31/1112042031.db2.gz RLQLWBDPXIQRPN-XLIONFOSSA-N 1 3 356.510 4.474 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CCCC2)CCC3)cc1 ZINC000480142235 1112299633 /nfs/dbraw/zinc/29/96/33/1112299633.db2.gz AYXYDQXMNUOFNI-QGZVFWFLSA-N 1 3 359.514 4.402 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635486 1112523513 /nfs/dbraw/zinc/52/35/13/1112523513.db2.gz AIJMLZTYJKSCJK-QZTJIDSGSA-N 1 3 366.505 4.498 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635486 1112523515 /nfs/dbraw/zinc/52/35/15/1112523515.db2.gz AIJMLZTYJKSCJK-QZTJIDSGSA-N 1 3 366.505 4.498 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745488 1112583766 /nfs/dbraw/zinc/58/37/66/1112583766.db2.gz OLIAEJIZOAIMMU-ZTFRIQLXSA-N 1 3 355.295 4.112 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745488 1112583774 /nfs/dbraw/zinc/58/37/74/1112583774.db2.gz OLIAEJIZOAIMMU-ZTFRIQLXSA-N 1 3 355.295 4.112 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC1CC[NH+](Cc3ccccc3C)CC1)CC2 ZINC000481331299 1112903445 /nfs/dbraw/zinc/90/34/45/1112903445.db2.gz IPIWYCXPQVQAOB-QHCPKHFHSA-N 1 3 350.506 4.245 20 0 FIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000481651077 1113012053 /nfs/dbraw/zinc/01/20/53/1113012053.db2.gz CUUKVQZVYMEAGN-ZACQAIPSSA-N 1 3 372.475 4.115 20 0 FIADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127662 1113183838 /nfs/dbraw/zinc/18/38/38/1113183838.db2.gz ORJIPHNLNIBYTG-JTSKRJEESA-N 1 3 350.506 4.108 20 0 FIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127662 1113183839 /nfs/dbraw/zinc/18/38/39/1113183839.db2.gz ORJIPHNLNIBYTG-JTSKRJEESA-N 1 3 350.506 4.108 20 0 FIADHO COCCOc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162911151 1113225208 /nfs/dbraw/zinc/22/52/08/1113225208.db2.gz MLQMETXWUVJKQP-IBGZPJMESA-N 1 3 368.521 4.158 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000482343615 1113229976 /nfs/dbraw/zinc/22/99/76/1113229976.db2.gz LIAWHCXJUMKDQX-KSSFIOAISA-N 1 3 351.332 4.146 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000162941283 1113268220 /nfs/dbraw/zinc/26/82/20/1113268220.db2.gz JQFBYTKZLRYXAV-SFHVURJKSA-N 1 3 366.505 4.295 20 0 FIADHO COc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000486522135 1113587720 /nfs/dbraw/zinc/58/77/20/1113587720.db2.gz YCJRZYCGTHPXMR-UYAOXDASSA-N 1 3 368.521 4.012 20 0 FIADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000489887921 1114182774 /nfs/dbraw/zinc/18/27/74/1114182774.db2.gz WIIIOVVRYXNGDL-GOSISDBHSA-N 1 3 367.493 4.011 20 0 FIADHO C[NH+](C)CCCCN[C@H](c1ccccc1)c1ccccc1Br ZINC000490157423 1114219450 /nfs/dbraw/zinc/21/94/50/1114219450.db2.gz MEQPYUUCCCVRAL-LJQANCHMSA-N 1 3 361.327 4.470 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000571466597 1114466268 /nfs/dbraw/zinc/46/62/68/1114466268.db2.gz BTYAFUDKVIUIDA-ROUUACIJSA-N 1 3 353.510 4.315 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000571466597 1114466269 /nfs/dbraw/zinc/46/62/69/1114466269.db2.gz BTYAFUDKVIUIDA-ROUUACIJSA-N 1 3 353.510 4.315 20 0 FIADHO c1c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2n1Cc1ccccc1 ZINC000590611268 1114952791 /nfs/dbraw/zinc/95/27/91/1114952791.db2.gz DTLBNZVGTCDUOR-HXUWFJFHSA-N 1 3 359.517 4.264 20 0 FIADHO CCOc1cc2nccc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2cc1OCC ZINC000591652205 1115119818 /nfs/dbraw/zinc/11/98/18/1115119818.db2.gz ULLSATLCRLIKTI-QGZVFWFLSA-N 1 3 369.509 4.097 20 0 FIADHO CSc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651925 1115161966 /nfs/dbraw/zinc/16/19/66/1115161966.db2.gz QUWVXTYCICXBIE-MSOLQXFVSA-N 1 3 358.576 4.424 20 0 FIADHO CSc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651925 1115161969 /nfs/dbraw/zinc/16/19/69/1115161969.db2.gz QUWVXTYCICXBIE-MSOLQXFVSA-N 1 3 358.576 4.424 20 0 FIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)C1 ZINC000760908722 1115170207 /nfs/dbraw/zinc/17/02/07/1115170207.db2.gz QJCPUEOEEOVRHB-LDOASJGRSA-N 1 3 370.581 4.450 20 0 FIADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000534238068 1116174232 /nfs/dbraw/zinc/17/42/32/1116174232.db2.gz CCJCXQXJDRMYIV-FQEVSTJZSA-N 1 3 358.913 4.448 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH+]1CCC3(CCN(Cc4ccoc4)C3)CC1)C2 ZINC001168432552 1117747124 /nfs/dbraw/zinc/74/71/24/1117747124.db2.gz WKCFBMSQUGQYNP-QFIPXVFZSA-N 1 3 368.496 4.264 20 0 FIADHO Oc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887420 1117828866 /nfs/dbraw/zinc/82/88/66/1117828866.db2.gz JMABKFIZQDTIGG-IERDGZPVSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887420 1117828873 /nfs/dbraw/zinc/82/88/73/1117828873.db2.gz JMABKFIZQDTIGG-IERDGZPVSA-N 1 3 356.535 4.333 20 0 FIADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000540172695 1117913397 /nfs/dbraw/zinc/91/33/97/1117913397.db2.gz SBTCVUCLFZKZSR-SOLBZPMBSA-N 1 3 370.484 4.218 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C[C@H](C)O1 ZINC000540175433 1117915787 /nfs/dbraw/zinc/91/57/87/1117915787.db2.gz IJWNCXBTOIOHQF-FCEWJHQRSA-N 1 3 366.933 4.033 20 0 FIADHO CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540178729 1117923302 /nfs/dbraw/zinc/92/33/02/1117923302.db2.gz FCXFGJUNQSGZQH-VGSWGCGISA-N 1 3 368.521 4.364 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CCN1Cc1ccccc1 ZINC000463083731 1117965152 /nfs/dbraw/zinc/96/51/52/1117965152.db2.gz LTTKEFGNQBZSRI-SXSPYAJSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083731 1117965155 /nfs/dbraw/zinc/96/51/55/1117965155.db2.gz LTTKEFGNQBZSRI-SXSPYAJSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083731 1117965159 /nfs/dbraw/zinc/96/51/59/1117965159.db2.gz LTTKEFGNQBZSRI-SXSPYAJSSA-N 1 3 369.528 4.071 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000463108857 1117968689 /nfs/dbraw/zinc/96/86/89/1117968689.db2.gz UZVIPCYTXGWVQI-OAQYLSRUSA-N 1 3 368.569 4.179 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000463108857 1117968693 /nfs/dbraw/zinc/96/86/93/1117968693.db2.gz UZVIPCYTXGWVQI-OAQYLSRUSA-N 1 3 368.569 4.179 20 0 FIADHO CC(C)[NH+](CCCNC1CCN(Cc2ccccc2Cl)CC1)C(C)C ZINC000463207685 1118021507 /nfs/dbraw/zinc/02/15/07/1118021507.db2.gz TWNCPTQNAAGOJF-UHFFFAOYSA-N 1 3 365.993 4.403 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)C1 ZINC000540409275 1118037789 /nfs/dbraw/zinc/03/77/89/1118037789.db2.gz UZFOLHSJSAKFIN-PBFPGSCMSA-N 1 3 369.372 4.163 20 0 FIADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000540596738 1118140614 /nfs/dbraw/zinc/14/06/14/1118140614.db2.gz GYIQURGYHTUKIW-GOSISDBHSA-N 1 3 365.521 4.264 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC(=O)Nc3ccccc32)c1 ZINC000541565562 1118557614 /nfs/dbraw/zinc/55/76/14/1118557614.db2.gz GIEAWWUMLSZFEN-HXUWFJFHSA-N 1 3 351.494 4.090 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC(=O)Nc3ccccc32)c1 ZINC000541565562 1118557618 /nfs/dbraw/zinc/55/76/18/1118557618.db2.gz GIEAWWUMLSZFEN-HXUWFJFHSA-N 1 3 351.494 4.090 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC(=O)Nc2ccccc21 ZINC000541550168 1118559139 /nfs/dbraw/zinc/55/91/39/1118559139.db2.gz XRIADRUQMXIYHW-FQEVSTJZSA-N 1 3 351.494 4.092 20 0 FIADHO C[C@H](c1cccc2ccccc21)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541662173 1118601054 /nfs/dbraw/zinc/60/10/54/1118601054.db2.gz LAEUGOPGAMNKHY-HXUWFJFHSA-N 1 3 365.565 4.250 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195730 1119044021 /nfs/dbraw/zinc/04/40/21/1119044021.db2.gz XBTMHHZLEYEKBP-MNDCFMPDSA-N 1 3 370.562 4.393 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1OCCc2sccc21 ZINC000492195730 1119044026 /nfs/dbraw/zinc/04/40/26/1119044026.db2.gz XBTMHHZLEYEKBP-MNDCFMPDSA-N 1 3 370.562 4.393 20 0 FIADHO Brc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000309652024 1119292616 /nfs/dbraw/zinc/29/26/16/1119292616.db2.gz ALRLHWZFELKPDC-HNNXBMFYSA-N 1 3 365.340 4.122 20 0 FIADHO CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311704814 1119385445 /nfs/dbraw/zinc/38/54/45/1119385445.db2.gz VAQGWMPFZFZQKZ-UGKGYDQZSA-N 1 3 352.522 4.474 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916681 1119506288 /nfs/dbraw/zinc/50/62/88/1119506288.db2.gz MCLNFWTYHCWWTE-WMLDXEAASA-N 1 3 351.332 4.066 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916681 1119506290 /nfs/dbraw/zinc/50/62/90/1119506290.db2.gz MCLNFWTYHCWWTE-WMLDXEAASA-N 1 3 351.332 4.066 20 0 FIADHO O=C1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2N1 ZINC000542480492 1119822462 /nfs/dbraw/zinc/82/24/62/1119822462.db2.gz DJSKNBFGGCUNFF-NRFANRHFSA-N 1 3 363.505 4.236 20 0 FIADHO Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000189379102 1119890281 /nfs/dbraw/zinc/89/02/81/1119890281.db2.gz QKLOHHZCUTZXOK-LAUBAEHRSA-N 1 3 354.494 4.110 20 0 FIADHO COc1ccc([C@@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000191401620 1119975382 /nfs/dbraw/zinc/97/53/82/1119975382.db2.gz ZNKHXVMLUGWKNU-QHCPKHFHSA-N 1 3 373.585 4.028 20 0 FIADHO COc1ccc([C@@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000191401620 1119975385 /nfs/dbraw/zinc/97/53/85/1119975385.db2.gz ZNKHXVMLUGWKNU-QHCPKHFHSA-N 1 3 373.585 4.028 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374498 1119981536 /nfs/dbraw/zinc/98/15/36/1119981536.db2.gz XRAFDDDNGBPDSX-TZIWHRDSSA-N 1 3 360.505 4.045 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000192790006 1120083153 /nfs/dbraw/zinc/08/31/53/1120083153.db2.gz JCHAIZZINBGEQP-HXUWFJFHSA-N 1 3 367.528 4.058 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000192789993 1120083342 /nfs/dbraw/zinc/08/33/42/1120083342.db2.gz JCHAIZZINBGEQP-FQEVSTJZSA-N 1 3 367.528 4.058 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000193971244 1120222410 /nfs/dbraw/zinc/22/24/10/1120222410.db2.gz KQVFIEJNHXRPFL-LJQANCHMSA-N 1 3 359.311 4.288 20 0 FIADHO CCCN1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000193989980 1120226589 /nfs/dbraw/zinc/22/65/89/1120226589.db2.gz ATPIIAJYWZUOLH-NXVRBGIVSA-N 1 3 351.332 4.017 20 0 FIADHO Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000495077988 1120462535 /nfs/dbraw/zinc/46/25/35/1120462535.db2.gz HAXPCPGZTMLTIU-VGOFRKELSA-N 1 3 360.517 4.290 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495380982 1120768620 /nfs/dbraw/zinc/76/86/20/1120768620.db2.gz TXVRJVQADCGNPC-KPLVRAHFSA-N 1 3 350.506 4.183 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380982 1120768628 /nfs/dbraw/zinc/76/86/28/1120768628.db2.gz TXVRJVQADCGNPC-KPLVRAHFSA-N 1 3 350.506 4.183 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC000495548488 1120882364 /nfs/dbraw/zinc/88/23/64/1120882364.db2.gz QKTSKVNBZAVJOM-IXDOHACOSA-N 1 3 374.475 4.425 20 0 FIADHO CCN(CC)[C@H](C[NH2+]C1CCN(C(C)C)CC1)c1ccccc1Cl ZINC000236888952 1120971271 /nfs/dbraw/zinc/97/12/71/1120971271.db2.gz UPDXYVVQIKNCMF-HXUWFJFHSA-N 1 3 351.966 4.185 20 0 FIADHO Fc1cc(F)cc(Oc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)c1 ZINC000237811487 1120984546 /nfs/dbraw/zinc/98/45/46/1120984546.db2.gz BQQMCRYERQIQCU-MRXNPFEDSA-N 1 3 358.432 4.331 20 0 FIADHO CCn1nc(CNCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000397494532 1121191799 /nfs/dbraw/zinc/19/17/99/1121191799.db2.gz AHBDXPVLCZLOAE-UHFFFAOYSA-N 1 3 362.521 4.058 20 0 FIADHO CSc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397664196 1121271882 /nfs/dbraw/zinc/27/18/82/1121271882.db2.gz FFFJXXSOHMSICW-SFHVURJKSA-N 1 3 370.562 4.086 20 0 FIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000063917671 1121728000 /nfs/dbraw/zinc/72/80/00/1121728000.db2.gz ZKLHAIZGHJFTHS-GOSISDBHSA-N 1 3 374.550 4.157 20 0 FIADHO Cc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc2cccnc12 ZINC001649101727 1121794519 /nfs/dbraw/zinc/79/45/19/1121794519.db2.gz OKNAAQASIGCNGQ-UHFFFAOYSA-N 1 3 363.505 4.164 20 0 FIADHO Cc1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1Cl ZINC000542710254 1122314088 /nfs/dbraw/zinc/31/40/88/1122314088.db2.gz FMDDHAYZJIPZCV-UHFFFAOYSA-N 1 3 371.956 4.469 20 0 FIADHO CN1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000129476245 1122610993 /nfs/dbraw/zinc/61/09/93/1122610993.db2.gz USSXHEKNCDBXNQ-NSHDSACASA-N 1 3 354.338 4.156 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c2ccccc21 ZINC000556119348 1122670933 /nfs/dbraw/zinc/67/09/33/1122670933.db2.gz WIQLWPSMTDZINN-ARBPTSGCSA-N 1 3 356.485 4.007 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178777 1122717906 /nfs/dbraw/zinc/71/79/06/1122717906.db2.gz ISLFBGVYDQMBFL-DENIHFKCSA-N 1 3 366.505 4.036 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178777 1122717911 /nfs/dbraw/zinc/71/79/11/1122717911.db2.gz ISLFBGVYDQMBFL-DENIHFKCSA-N 1 3 366.505 4.036 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233980 1122750262 /nfs/dbraw/zinc/75/02/62/1122750262.db2.gz UJYVMEQNCIFCKZ-DENIHFKCSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC4(c5ccccn5)CCC4)[C@H]3C2)cc1 ZINC000556925577 1123226708 /nfs/dbraw/zinc/22/67/08/1123226708.db2.gz VGDWAZLWPUJYIH-FKBYEOEOSA-N 1 3 361.533 4.004 20 0 FIADHO CCCCCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133105276 1123420557 /nfs/dbraw/zinc/42/05/57/1123420557.db2.gz YOYGSVIHMVHQFK-UXHICEINSA-N 1 3 374.569 4.407 20 0 FIADHO CC(C)Oc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000134023765 1123585291 /nfs/dbraw/zinc/58/52/91/1123585291.db2.gz UFHRQXAQZUVVSZ-GOSISDBHSA-N 1 3 356.510 4.265 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000765881159 1124326944 /nfs/dbraw/zinc/32/69/44/1124326944.db2.gz NMYMKODQZMAEFV-NGXZDTIWSA-N 1 3 374.528 4.373 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000765881159 1124326953 /nfs/dbraw/zinc/32/69/53/1124326953.db2.gz NMYMKODQZMAEFV-NGXZDTIWSA-N 1 3 374.528 4.373 20 0 FIADHO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccs1 ZINC000246541139 1124527481 /nfs/dbraw/zinc/52/74/81/1124527481.db2.gz VXFZUAIGDOGFTA-IPMKNSEASA-N 1 3 350.572 4.193 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000248961370 1124830532 /nfs/dbraw/zinc/83/05/32/1124830532.db2.gz BEBPRBNURUORCJ-ULQDDVLXSA-N 1 3 368.352 4.179 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000248961370 1124830538 /nfs/dbraw/zinc/83/05/38/1124830538.db2.gz BEBPRBNURUORCJ-ULQDDVLXSA-N 1 3 368.352 4.179 20 0 FIADHO C[C@H](NCc1cccc(OC(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000089520330 1124913074 /nfs/dbraw/zinc/91/30/74/1124913074.db2.gz ZSJVKBKDDFDEBK-HNNXBMFYSA-N 1 3 364.436 4.079 20 0 FIADHO C[C@H](NCc1cccc(OC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089520318 1124913298 /nfs/dbraw/zinc/91/32/98/1124913298.db2.gz PRTDLILWIIORCH-HNNXBMFYSA-N 1 3 364.436 4.079 20 0 FIADHO Cc1nc2ccccc2nc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476976124 1125004687 /nfs/dbraw/zinc/00/46/87/1125004687.db2.gz VNIPEFBUZKDWAY-SFHVURJKSA-N 1 3 366.553 4.415 20 0 FIADHO Cc1nc2ccccc2nc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476976124 1125004698 /nfs/dbraw/zinc/00/46/98/1125004698.db2.gz VNIPEFBUZKDWAY-SFHVURJKSA-N 1 3 366.553 4.415 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000672619102 1125195614 /nfs/dbraw/zinc/19/56/14/1125195614.db2.gz IOBFRPLVQVSKPP-HGHGUNKESA-N 1 3 364.961 4.049 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1OC ZINC000182353340 1125424444 /nfs/dbraw/zinc/42/44/44/1125424444.db2.gz JHNATDUKSXZQPI-KRWDZBQOSA-N 1 3 351.494 4.259 20 0 FIADHO CN(C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119849 568224619 /nfs/dbraw/zinc/22/46/19/568224619.db2.gz JPUMPQLUMXKNFC-SFTDATJTSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119849 568224620 /nfs/dbraw/zinc/22/46/20/568224620.db2.gz JPUMPQLUMXKNFC-SFTDATJTSA-N 1 3 369.578 4.138 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000604418257 568276265 /nfs/dbraw/zinc/27/62/65/568276265.db2.gz NZWMTEKFNOFWCZ-DENIHFKCSA-N 1 3 370.537 4.482 20 0 FIADHO CC[NH+](CC)C1CCN(c2nc(N3CCCC3)cc3ccccc32)CC1 ZINC001165054727 722006355 /nfs/dbraw/zinc/00/63/55/722006355.db2.gz ZRZYUGHZXJDPNC-UHFFFAOYSA-N 1 3 352.526 4.146 20 0 FIADHO C[NH+](C)CCOc1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1 ZINC000620125638 1125785183 /nfs/dbraw/zinc/78/51/83/1125785183.db2.gz ZUHXUURUNOJDIF-UHFFFAOYSA-N 1 3 356.510 4.094 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117312 1080788399 /nfs/dbraw/zinc/78/83/99/1080788399.db2.gz GDRCECOQIDCALW-PDIWNELESA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117312 1080788407 /nfs/dbraw/zinc/78/84/07/1080788407.db2.gz GDRCECOQIDCALW-PDIWNELESA-N 1 3 350.506 4.183 20 0 FIADHO CCSc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000547979461 1081316358 /nfs/dbraw/zinc/31/63/58/1081316358.db2.gz QYUKPSSLLQGEJC-XLIONFOSSA-N 1 3 355.551 4.194 20 0 FIADHO C[N@H+](Cc1ccccc1CNCc1cccc2nccn21)C1CCCCC1 ZINC001648891703 1081354937 /nfs/dbraw/zinc/35/49/37/1081354937.db2.gz PPJUABNERIEAED-UHFFFAOYSA-N 1 3 362.521 4.389 20 0 FIADHO C[N@@H+](Cc1ccccc1CNCc1cccc2nccn21)C1CCCCC1 ZINC001648891703 1081354945 /nfs/dbraw/zinc/35/49/45/1081354945.db2.gz PPJUABNERIEAED-UHFFFAOYSA-N 1 3 362.521 4.389 20 0 FIADHO O=C(CC[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2)c1ccccc1 ZINC000312591119 1081374949 /nfs/dbraw/zinc/37/49/49/1081374949.db2.gz WZLUJVYYWSHAKI-UHFFFAOYSA-N 1 3 362.517 4.248 20 0 FIADHO O=C(CC[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2)c1ccccc1 ZINC000312591119 1081374956 /nfs/dbraw/zinc/37/49/56/1081374956.db2.gz WZLUJVYYWSHAKI-UHFFFAOYSA-N 1 3 362.517 4.248 20 0 FIADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000397682212 1081431473 /nfs/dbraw/zinc/43/14/73/1081431473.db2.gz MDSPDLNVVWNLPK-OAQYLSRUSA-N 1 3 372.940 4.408 20 0 FIADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc2cnccc2c1 ZINC000683771613 1081532688 /nfs/dbraw/zinc/53/26/88/1081532688.db2.gz XGLGZNQMGMOABG-OALUTQOASA-N 1 3 359.517 4.481 20 0 FIADHO C[NH+](C)CCC1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000118868243 1081556263 /nfs/dbraw/zinc/55/62/63/1081556263.db2.gz KGUQHKDDWUJLGK-UHFFFAOYSA-N 1 3 365.521 4.103 20 0 FIADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000683816218 1081618498 /nfs/dbraw/zinc/61/84/98/1081618498.db2.gz NBZSUICJKYXKQM-NWSQWKLXSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816218 1081618501 /nfs/dbraw/zinc/61/85/01/1081618501.db2.gz NBZSUICJKYXKQM-NWSQWKLXSA-N 1 3 352.522 4.264 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000580249320 1081779950 /nfs/dbraw/zinc/77/99/50/1081779950.db2.gz CICCOUJTKOCEOC-CVDCTZTESA-N 1 3 350.506 4.053 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249320 1081779956 /nfs/dbraw/zinc/77/99/56/1081779956.db2.gz CICCOUJTKOCEOC-CVDCTZTESA-N 1 3 350.506 4.053 20 0 FIADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638070 1082060335 /nfs/dbraw/zinc/06/03/35/1082060335.db2.gz QAHCDRGUGOSIFU-KNQAVFIVSA-N 1 3 367.537 4.049 20 0 FIADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638070 1082060341 /nfs/dbraw/zinc/06/03/41/1082060341.db2.gz QAHCDRGUGOSIFU-KNQAVFIVSA-N 1 3 367.537 4.049 20 0 FIADHO [NH3+]C1CCC(N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000581065785 1082299013 /nfs/dbraw/zinc/29/90/13/1082299013.db2.gz SQHBENKWWHGBCY-BUNACBEFSA-N 1 3 372.896 4.060 20 0 FIADHO COc1cccc(C2(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)CCC2)c1 ZINC000658324185 1083409752 /nfs/dbraw/zinc/40/97/52/1083409752.db2.gz ZMCXJFKVYGTTSS-GOSISDBHSA-N 1 3 368.521 4.366 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000414106887 1084579946 /nfs/dbraw/zinc/57/99/46/1084579946.db2.gz YARHSHDONTXDKO-KURKYZTESA-N 1 3 373.566 4.350 20 0 FIADHO C[C@H](NCc1cnccc1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414239800 1084889269 /nfs/dbraw/zinc/88/92/69/1084889269.db2.gz ZDTBSLPFIWMDEY-KRWDZBQOSA-N 1 3 355.526 4.170 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651720623 1085412064 /nfs/dbraw/zinc/41/20/64/1085412064.db2.gz GKRSYZYIHYXSFU-HSALFYBXSA-N 1 3 367.537 4.289 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2csc(Cl)c2Cl)C[C@H](C)O1 ZINC000432229642 1085687187 /nfs/dbraw/zinc/68/71/87/1085687187.db2.gz SPHSWGFJXDZCSO-TXEJJXNPSA-N 1 3 351.343 4.034 20 0 FIADHO c1cncc([C@H]2CCC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000657613729 1085699896 /nfs/dbraw/zinc/69/98/96/1085699896.db2.gz PYLJUQIYBFOHJW-JTHBVZDNSA-N 1 3 364.537 4.005 20 0 FIADHO CC[NH+](CC)CCOC1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000473134328 1085736425 /nfs/dbraw/zinc/73/64/25/1085736425.db2.gz XSWITTSALFYBEN-UHFFFAOYSA-N 1 3 357.542 4.108 20 0 FIADHO CN(CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646578 1086009791 /nfs/dbraw/zinc/00/97/91/1086009791.db2.gz FKJDLBKNWSNSFQ-ISKFKSNPSA-N 1 3 363.549 4.109 20 0 FIADHO CN(CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646578 1086009802 /nfs/dbraw/zinc/00/98/02/1086009802.db2.gz FKJDLBKNWSNSFQ-ISKFKSNPSA-N 1 3 363.549 4.109 20 0 FIADHO COc1ccccc1-c1nc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662295111 1086399526 /nfs/dbraw/zinc/39/95/26/1086399526.db2.gz SXGGNXVIHUJBDS-KRWDZBQOSA-N 1 3 371.550 4.030 20 0 FIADHO COc1cccc(-c2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)c1 ZINC000662315623 1086412011 /nfs/dbraw/zinc/41/20/11/1086412011.db2.gz UMOZUFVKCMUTIB-DNVCBOLYSA-N 1 3 359.539 4.158 20 0 FIADHO Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c(Cl)c1 ZINC000662326867 1086419240 /nfs/dbraw/zinc/41/92/40/1086419240.db2.gz FOHCFNPPZXSLPO-UHFFFAOYSA-N 1 3 372.944 4.218 20 0 FIADHO Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(Cl)c1 ZINC000662326867 1086419246 /nfs/dbraw/zinc/41/92/46/1086419246.db2.gz FOHCFNPPZXSLPO-UHFFFAOYSA-N 1 3 372.944 4.218 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338789 1086675204 /nfs/dbraw/zinc/67/52/04/1086675204.db2.gz UCPFJBOKVJZOSK-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338789 1086675207 /nfs/dbraw/zinc/67/52/07/1086675207.db2.gz UCPFJBOKVJZOSK-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422560 1086747182 /nfs/dbraw/zinc/74/71/82/1086747182.db2.gz FUVMRCOJSCPNJG-GUYCJALGSA-N 1 3 357.325 4.071 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422560 1086747192 /nfs/dbraw/zinc/74/71/92/1086747192.db2.gz FUVMRCOJSCPNJG-GUYCJALGSA-N 1 3 357.325 4.071 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427658 1086757930 /nfs/dbraw/zinc/75/79/30/1086757930.db2.gz DEAAFLUMQFXEHA-CVDCTZTESA-N 1 3 370.512 4.200 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427658 1086757933 /nfs/dbraw/zinc/75/79/33/1086757933.db2.gz DEAAFLUMQFXEHA-CVDCTZTESA-N 1 3 370.512 4.200 20 0 FIADHO CCO[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000583660778 1086903258 /nfs/dbraw/zinc/90/32/58/1086903258.db2.gz MDMYYOSXXNQVBZ-UEVCKROQSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660778 1086903259 /nfs/dbraw/zinc/90/32/59/1086903259.db2.gz MDMYYOSXXNQVBZ-UEVCKROQSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000583660778 1086903260 /nfs/dbraw/zinc/90/32/60/1086903260.db2.gz MDMYYOSXXNQVBZ-UEVCKROQSA-N 1 3 352.522 4.264 20 0 FIADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130885 1087123719 /nfs/dbraw/zinc/12/37/19/1087123719.db2.gz DTFVJZVPHINWAV-ZIAGYGMSSA-N 1 3 357.325 4.145 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845357 1087291578 /nfs/dbraw/zinc/29/15/78/1087291578.db2.gz NJAPFPCXTFDFPG-DLBZAZTESA-N 1 3 356.510 4.240 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845357 1087291583 /nfs/dbraw/zinc/29/15/83/1087291583.db2.gz NJAPFPCXTFDFPG-DLBZAZTESA-N 1 3 356.510 4.240 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000091285068 1087426788 /nfs/dbraw/zinc/42/67/88/1087426788.db2.gz JSILWYYUBRJTBL-IBGZPJMESA-N 1 3 371.491 4.020 20 0 FIADHO CCOC1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000657880069 1087524747 /nfs/dbraw/zinc/52/47/47/1087524747.db2.gz KSRPODWJPWRGKR-UHFFFAOYSA-N 1 3 364.961 4.489 20 0 FIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470327 1087577774 /nfs/dbraw/zinc/57/77/74/1087577774.db2.gz HAJBPTGDQUCJQM-HTAPYJJXSA-N 1 3 356.485 4.177 20 0 FIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470327 1087577775 /nfs/dbraw/zinc/57/77/75/1087577775.db2.gz HAJBPTGDQUCJQM-HTAPYJJXSA-N 1 3 356.485 4.177 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccnc4ccccc34)CC2)C1 ZINC000658125363 1087732149 /nfs/dbraw/zinc/73/21/49/1087732149.db2.gz BFJJAIOGLJLVSH-WIYYLYMNSA-N 1 3 351.538 4.410 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139908 1087744099 /nfs/dbraw/zinc/74/40/99/1087744099.db2.gz NZXVBPPOEODDBD-PXNSSMCTSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139908 1087744113 /nfs/dbraw/zinc/74/41/13/1087744113.db2.gz NZXVBPPOEODDBD-PXNSSMCTSA-N 1 3 364.489 4.159 20 0 FIADHO Fc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCS2 ZINC000658163708 1087757632 /nfs/dbraw/zinc/75/76/32/1087757632.db2.gz ABXXCRGGORZPET-FQEVSTJZSA-N 1 3 371.525 4.259 20 0 FIADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658168109 1087762814 /nfs/dbraw/zinc/76/28/14/1087762814.db2.gz VUFGICHDZAYAPO-ZEQRLZLVSA-N 1 3 363.549 4.394 20 0 FIADHO Cc1ccc(C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658167865 1087763945 /nfs/dbraw/zinc/76/39/45/1087763945.db2.gz UNPPZUQXAXBYEJ-XMMPIXPASA-N 1 3 363.549 4.213 20 0 FIADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000504896669 1087968928 /nfs/dbraw/zinc/96/89/28/1087968928.db2.gz ZDYQTFLXIBOYHO-WMZHIEFXSA-N 1 3 363.549 4.081 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2ccccc2Cl)cc1 ZINC000414815893 1088247282 /nfs/dbraw/zinc/24/72/82/1088247282.db2.gz YSGQQCQVNZDOTC-CQSZACIVSA-N 1 3 354.885 4.050 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC000414819627 1088273601 /nfs/dbraw/zinc/27/36/01/1088273601.db2.gz ZDUAKJLAMLYRIS-LLVKDONJSA-N 1 3 353.691 4.412 20 0 FIADHO CC(C)C[C@@H](CN)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414856352 1089071486 /nfs/dbraw/zinc/07/14/86/1089071486.db2.gz YPWSMIIPJPJRGY-KRWDZBQOSA-N 1 3 359.901 4.055 20 0 FIADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccncc2)cs1 ZINC000415083146 1089140030 /nfs/dbraw/zinc/14/00/30/1089140030.db2.gz MZCTZVFJFWZNLJ-SJLPKXTDSA-N 1 3 358.555 4.038 20 0 FIADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415093802 1089153773 /nfs/dbraw/zinc/15/37/73/1089153773.db2.gz WCGCHMJKUGGZNW-GOEBONIOSA-N 1 3 371.352 4.162 20 0 FIADHO CC(C)C[C@@H]([NH3+])CNCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415093246 1089157846 /nfs/dbraw/zinc/15/78/46/1089157846.db2.gz UVZIGJYOXAMJGP-OAHLLOKOSA-N 1 3 359.341 4.005 20 0 FIADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414861219 1089163976 /nfs/dbraw/zinc/16/39/76/1089163976.db2.gz RNUDYNRLFAZWJN-HNNXBMFYSA-N 1 3 351.922 4.007 20 0 FIADHO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000549236938 1089310951 /nfs/dbraw/zinc/31/09/51/1089310951.db2.gz IQBLJMBOHYODJC-XSQFVWFVSA-N 1 3 356.554 4.080 20 0 FIADHO Cc1cc(CNCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)n(C)n1 ZINC000417865815 1090982949 /nfs/dbraw/zinc/98/29/49/1090982949.db2.gz VQUJZSJPCQDOFO-UHFFFAOYSA-N 1 3 374.532 4.281 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000500073471 1091023440 /nfs/dbraw/zinc/02/34/40/1091023440.db2.gz JRNYTHYOTDIRGO-OAQYLSRUSA-N 1 3 357.586 4.266 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000500073471 1091023444 /nfs/dbraw/zinc/02/34/44/1091023444.db2.gz JRNYTHYOTDIRGO-OAQYLSRUSA-N 1 3 357.586 4.266 20 0 FIADHO C[C@@H]1CC([NH2+][C@H](CCO)c2ccc(F)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012514 1092340988 /nfs/dbraw/zinc/34/09/88/1092340988.db2.gz BHRVRYRTPBSTCE-PMAPCBKXSA-N 1 3 370.512 4.280 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@H](NCC[C@@H]([NH3+])C(C)C)CCC3)cc1 ZINC000665281236 1092597355 /nfs/dbraw/zinc/59/73/55/1092597355.db2.gz YBIHDVZURTZPEI-IAGOWNOFSA-N 1 3 359.539 4.159 20 0 FIADHO CN(CCCCOc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758991 1092749975 /nfs/dbraw/zinc/74/99/75/1092749975.db2.gz CJYYHKUUWOBSPQ-XYPWUTKMSA-N 1 3 356.432 4.079 20 0 FIADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000442871019 1092818116 /nfs/dbraw/zinc/81/81/16/1092818116.db2.gz FCTBYWMKVLCBRI-QGZVFWFLSA-N 1 3 358.357 4.060 20 0 FIADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2cccs2)cc1 ZINC000442890524 1092844390 /nfs/dbraw/zinc/84/43/90/1092844390.db2.gz ONFPCDFEXYCOPA-KRWDZBQOSA-N 1 3 357.567 4.092 20 0 FIADHO Cc1ccccc1[C@@H]([C@@H](C)NC1CC[NH+](C2CCCCC2)CC1)N(C)C ZINC000443193767 1092984176 /nfs/dbraw/zinc/98/41/76/1092984176.db2.gz NDLLPFLYWGUUIX-AUSIDOKSSA-N 1 3 357.586 4.373 20 0 FIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512644199 1093058770 /nfs/dbraw/zinc/05/87/70/1093058770.db2.gz ZZEALLKTKIQGTN-ZQGJOIPISA-N 1 3 370.581 4.470 20 0 FIADHO COC1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000512648502 1093068958 /nfs/dbraw/zinc/06/89/58/1093068958.db2.gz NQPZAFHXJZZFDZ-CAYSGGIESA-N 1 3 356.554 4.082 20 0 FIADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000512659449 1093095665 /nfs/dbraw/zinc/09/56/65/1093095665.db2.gz HATYFYVYOVJUAI-YPAWHYETSA-N 1 3 356.554 4.084 20 0 FIADHO Cc1nc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)sc1C ZINC000512666370 1093105717 /nfs/dbraw/zinc/10/57/17/1093105717.db2.gz KFBQXQHTJHVQMR-PWRODBHTSA-N 1 3 369.578 4.193 20 0 FIADHO c1c(CN2CCC(CCC[NH+]3CCCC3)CC2)onc1-c1ccccc1 ZINC000443591150 1093291817 /nfs/dbraw/zinc/29/18/17/1093291817.db2.gz OIYMCSOQUGCTSK-UHFFFAOYSA-N 1 3 353.510 4.430 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccccc3[C@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023852 1093367558 /nfs/dbraw/zinc/36/75/58/1093367558.db2.gz YLNJTDWMRZWJHR-HOSQYBKFSA-N 1 3 364.533 4.066 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccccc3[C@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023852 1093367574 /nfs/dbraw/zinc/36/75/74/1093367574.db2.gz YLNJTDWMRZWJHR-HOSQYBKFSA-N 1 3 364.533 4.066 20 0 FIADHO COC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025318 1093432158 /nfs/dbraw/zinc/43/21/58/1093432158.db2.gz JJFKGNNSVATDHC-KZTDQWPFSA-N 1 3 366.549 4.275 20 0 FIADHO COC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025318 1093432162 /nfs/dbraw/zinc/43/21/62/1093432162.db2.gz JJFKGNNSVATDHC-KZTDQWPFSA-N 1 3 366.549 4.275 20 0 FIADHO CC1CC[NH+](Cc2ccc(NC(=O)c3ccccc3CN(C)C)cc2)CC1 ZINC000433304868 1093560506 /nfs/dbraw/zinc/56/05/06/1093560506.db2.gz OCWBUFAZADXRQO-UHFFFAOYSA-N 1 3 365.521 4.232 20 0 FIADHO CCCn1c2ccccc2nc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000614388729 1093799409 /nfs/dbraw/zinc/79/94/09/1093799409.db2.gz XTEVUYMUHJWUSJ-OALUTQOASA-N 1 3 356.558 4.294 20 0 FIADHO CCCn1c2ccccc2nc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000614388726 1093799678 /nfs/dbraw/zinc/79/96/78/1093799678.db2.gz XTEVUYMUHJWUSJ-KDURUIRLSA-N 1 3 356.558 4.294 20 0 FIADHO CCCn1c2ccccc2nc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000614388726 1093799683 /nfs/dbraw/zinc/79/96/83/1093799683.db2.gz XTEVUYMUHJWUSJ-KDURUIRLSA-N 1 3 356.558 4.294 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000576868154 1094232517 /nfs/dbraw/zinc/23/25/17/1094232517.db2.gz WYDJHKMFLHTCOQ-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000576868154 1094232523 /nfs/dbraw/zinc/23/25/23/1094232523.db2.gz WYDJHKMFLHTCOQ-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000501007333 1094415918 /nfs/dbraw/zinc/41/59/18/1094415918.db2.gz KYXJXEPMVPXNSV-NRFANRHFSA-N 1 3 363.565 4.309 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000501059141 1094470364 /nfs/dbraw/zinc/47/03/64/1094470364.db2.gz LIRHQKMGEWKTBE-DEOSSOPVSA-N 1 3 371.613 4.137 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000501059141 1094470374 /nfs/dbraw/zinc/47/03/74/1094470374.db2.gz LIRHQKMGEWKTBE-DEOSSOPVSA-N 1 3 371.613 4.137 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501089617 1094488778 /nfs/dbraw/zinc/48/87/78/1094488778.db2.gz OFJNEXUOTJWANN-KRWDZBQOSA-N 1 3 371.491 4.114 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501089617 1094488783 /nfs/dbraw/zinc/48/87/83/1094488783.db2.gz OFJNEXUOTJWANN-KRWDZBQOSA-N 1 3 371.491 4.114 20 0 FIADHO CC(C)n1nccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000474714754 1094536587 /nfs/dbraw/zinc/53/65/87/1094536587.db2.gz OSLNBGUGNCKZAV-UHFFFAOYSA-N 1 3 360.933 4.119 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000420398931 1094913189 /nfs/dbraw/zinc/91/31/89/1094913189.db2.gz ZMAFOMFOVCKPLC-GDBMZVCRSA-N 1 3 364.942 4.273 20 0 FIADHO OC1(C[NH2+]Cc2cc3ccccc3s2)CCN(Cc2ccccc2)CC1 ZINC000414532024 1095707856 /nfs/dbraw/zinc/70/78/56/1095707856.db2.gz AJXRVMKVSHXNFQ-UHFFFAOYSA-N 1 3 366.530 4.018 20 0 FIADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000502720315 1095742888 /nfs/dbraw/zinc/74/28/88/1095742888.db2.gz ATCGIPRWRFFNMM-NQIIRXRSSA-N 1 3 364.961 4.347 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000421827994 1095939540 /nfs/dbraw/zinc/93/95/40/1095939540.db2.gz ALUMRHGBFMCODA-MDZRGWNJSA-N 1 3 368.949 4.136 20 0 FIADHO CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OCC ZINC000422760529 1096476060 /nfs/dbraw/zinc/47/60/60/1096476060.db2.gz QFWJWPYTLKBJCI-HUUCEWRRSA-N 1 3 357.498 4.058 20 0 FIADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000422769363 1096486580 /nfs/dbraw/zinc/48/65/80/1096486580.db2.gz OTEVTTPRTZLNCV-YJGRUCBDSA-N 1 3 362.517 4.472 20 0 FIADHO CSc1cccc([C@@H](N[C@H](C)CCC[NH3+])c2cc(F)ccc2F)c1 ZINC000422785345 1096489720 /nfs/dbraw/zinc/48/97/20/1096489720.db2.gz JKTBDKCVVVSARW-BFUOFWGJSA-N 1 3 350.478 4.493 20 0 FIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837271 1096502362 /nfs/dbraw/zinc/50/23/62/1096502362.db2.gz LTHQNIJTJFIRCT-BBFBFANZSA-N 1 3 366.480 4.295 20 0 FIADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc(C2CCCCC2)cs1 ZINC000422911371 1096521396 /nfs/dbraw/zinc/52/13/96/1096521396.db2.gz KPUSVCHKBDTWAC-QFBILLFUSA-N 1 3 357.567 4.281 20 0 FIADHO [NH3+][C@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 ZINC000422938194 1096530213 /nfs/dbraw/zinc/53/02/13/1096530213.db2.gz GVSDTUOVZVXIBR-PMACEKPBSA-N 1 3 356.897 4.123 20 0 FIADHO COc1ccc(-c2ccc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)cc2)cc1 ZINC000422918030 1096531944 /nfs/dbraw/zinc/53/19/44/1096531944.db2.gz HDGVZZGLRIYIFV-INIZCTEOSA-N 1 3 361.489 4.375 20 0 FIADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423037181 1096556295 /nfs/dbraw/zinc/55/62/95/1096556295.db2.gz VQAQDCQFIBICNQ-DSIZOQBWSA-N 1 3 355.929 4.108 20 0 FIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2ncsc2c1 ZINC000423061152 1096560546 /nfs/dbraw/zinc/56/05/46/1096560546.db2.gz JYIYPDKGNWKAJG-DHUIEDIVSA-N 1 3 365.502 4.203 20 0 FIADHO CCCN(C)[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423102709 1096567664 /nfs/dbraw/zinc/56/76/64/1096567664.db2.gz KKTRFOHYODPKFB-QVKFZJNVSA-N 1 3 374.960 4.236 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423097830 1096574228 /nfs/dbraw/zinc/57/42/28/1096574228.db2.gz RGNSIOOXNGPJLL-YEWWUXTCSA-N 1 3 363.427 4.464 20 0 FIADHO c1cc2cc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2s1 ZINC000423120915 1096578704 /nfs/dbraw/zinc/57/87/04/1096578704.db2.gz HVDUCMGSXFNWKE-GHTZIAJQSA-N 1 3 350.487 4.247 20 0 FIADHO CC(F)(F)c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423125799 1096579731 /nfs/dbraw/zinc/57/97/31/1096579731.db2.gz AHMZEZJELVKRQY-RXVVDRJESA-N 1 3 358.432 4.144 20 0 FIADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H]1CCC[NH2+]CC1 ZINC000423127445 1096579978 /nfs/dbraw/zinc/57/99/78/1096579978.db2.gz TWHTVTHMGLPUEO-GUYCJALGSA-N 1 3 362.315 4.040 20 0 FIADHO Brc1ccc([C@H](NCC[C@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000423260762 1096633833 /nfs/dbraw/zinc/63/38/33/1096633833.db2.gz QPZVIRXYYNAYHD-KDOFPFPSSA-N 1 3 363.299 4.111 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000423291462 1096635659 /nfs/dbraw/zinc/63/56/59/1096635659.db2.gz IJMKEVKONNHEMH-APPDUMDISA-N 1 3 363.274 4.385 20 0 FIADHO COc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000423290675 1096635687 /nfs/dbraw/zinc/63/56/87/1096635687.db2.gz FAIZLYFBIKPLLU-STQMWFEESA-N 1 3 363.299 4.328 20 0 FIADHO Cc1c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1-c1ccc(F)cc1 ZINC000423290907 1096635790 /nfs/dbraw/zinc/63/57/90/1096635790.db2.gz FWUIXTDDFFDNML-CABCVRRESA-N 1 3 352.457 4.190 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000423290428 1096636272 /nfs/dbraw/zinc/63/62/72/1096636272.db2.gz CXGJZLNMUPOLDH-ZMZPIMSZSA-N 1 3 363.274 4.385 20 0 FIADHO CC1(CN[C@@H](c2ccco2)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423315790 1096641316 /nfs/dbraw/zinc/64/13/16/1096641316.db2.gz AJTDFYGAAJZRLS-QGZVFWFLSA-N 1 3 363.299 4.111 20 0 FIADHO Fc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000423334645 1096649714 /nfs/dbraw/zinc/64/97/14/1096649714.db2.gz FTPTTYNTNLUDNX-LJQANCHMSA-N 1 3 364.386 4.443 20 0 FIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC(F)(F)F)cc1 ZINC000423405622 1096672232 /nfs/dbraw/zinc/67/22/32/1096672232.db2.gz YFAYOGGJBGBCGG-CYBMUJFWSA-N 1 3 350.384 4.082 20 0 FIADHO CSc1cccc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2cc(F)ccc2F)c1 ZINC000423493363 1096706946 /nfs/dbraw/zinc/70/69/46/1096706946.db2.gz BHQHDDSIPYGTCE-PSGMQZRDSA-N 1 3 362.489 4.493 20 0 FIADHO c1cc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000436281561 1098883677 /nfs/dbraw/zinc/88/36/77/1098883677.db2.gz PYJOKWQVBQDQFZ-UHFFFAOYSA-N 1 3 366.534 4.414 20 0 FIADHO COc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000162265172 1099668499 /nfs/dbraw/zinc/66/84/99/1099668499.db2.gz OUTSXDCCGQOMGR-HOTGVXAUSA-N 1 3 360.473 4.187 20 0 FIADHO C(=C/c1ccc(OCc2ccccc2)cc1)\CNC1CC[NH+](C2CC2)CC1 ZINC000459390757 1099711190 /nfs/dbraw/zinc/71/11/90/1099711190.db2.gz PBTUGTSWUKPBBK-QPJJXVBHSA-N 1 3 362.517 4.495 20 0 FIADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693183 1099823854 /nfs/dbraw/zinc/82/38/54/1099823854.db2.gz AFNKZPUQHSWWJZ-GGPKGHCWSA-N 1 3 356.485 4.093 20 0 FIADHO CC(C)c1nc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000508693241 1099827650 /nfs/dbraw/zinc/82/76/50/1099827650.db2.gz CPNJAKCBBLYOLJ-MJGOQNOKSA-N 1 3 357.567 4.309 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(OC(F)F)c1 ZINC000162558529 1099842780 /nfs/dbraw/zinc/84/27/80/1099842780.db2.gz HXLCAIQSKWTQKH-OAHLLOKOSA-N 1 3 364.436 4.079 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702108 1099857507 /nfs/dbraw/zinc/85/75/07/1099857507.db2.gz YNXRTPFAKIXUMC-WSTZPKSXSA-N 1 3 356.485 4.093 20 0 FIADHO COc1ccsc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536709385 1100228175 /nfs/dbraw/zinc/22/81/75/1100228175.db2.gz CPDPXZHVZCZERS-UHFFFAOYSA-N 1 3 356.535 4.245 20 0 FIADHO COc1ccsc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536709385 1100228181 /nfs/dbraw/zinc/22/81/81/1100228181.db2.gz CPDPXZHVZCZERS-UHFFFAOYSA-N 1 3 356.535 4.245 20 0 FIADHO c1nnsc1CN1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459516940 1100254754 /nfs/dbraw/zinc/25/47/54/1100254754.db2.gz DZHGLBTUUOTLOJ-NRFANRHFSA-N 1 3 370.566 4.195 20 0 FIADHO Clc1cccc([C@@H](Cc2cccnc2)[NH2+]CCCN2CCCCC2)c1 ZINC000425928067 1100297742 /nfs/dbraw/zinc/29/77/42/1100297742.db2.gz XHEPOESUNXCKRO-OAQYLSRUSA-N 1 3 357.929 4.484 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536858597 1100373425 /nfs/dbraw/zinc/37/34/25/1100373425.db2.gz QZTWFYIBZIMBPR-BZSNNMDCSA-N 1 3 350.572 4.339 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000536859463 1100376433 /nfs/dbraw/zinc/37/64/33/1100376433.db2.gz UYNXXYJSRUBJBP-OAGGEKHMSA-N 1 3 374.447 4.125 20 0 FIADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCCN1C1CCCC1 ZINC000438771450 1100907435 /nfs/dbraw/zinc/90/74/35/1100907435.db2.gz KYCRZRMWJQZRFS-NRFANRHFSA-N 1 3 355.526 4.018 20 0 FIADHO COCC[N@H+](C)CCCNCc1ccc(-c2cccc(Cl)c2)s1 ZINC000518265431 1101049593 /nfs/dbraw/zinc/04/95/93/1101049593.db2.gz XSOHFBYHXJSISV-UHFFFAOYSA-N 1 3 352.931 4.126 20 0 FIADHO COCC[N@@H+](C)CCCNCc1ccc(-c2cccc(Cl)c2)s1 ZINC000518265431 1101049599 /nfs/dbraw/zinc/04/95/99/1101049599.db2.gz XSOHFBYHXJSISV-UHFFFAOYSA-N 1 3 352.931 4.126 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335904 1101300840 /nfs/dbraw/zinc/30/08/40/1101300840.db2.gz RFHJRMKVVDLTLU-ISTRZQFTSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335904 1101300851 /nfs/dbraw/zinc/30/08/51/1101300851.db2.gz RFHJRMKVVDLTLU-ISTRZQFTSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335906 1101301308 /nfs/dbraw/zinc/30/13/08/1101301308.db2.gz RFHJRMKVVDLTLU-SRCQZFHVSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335906 1101301312 /nfs/dbraw/zinc/30/13/12/1101301312.db2.gz RFHJRMKVVDLTLU-SRCQZFHVSA-N 1 3 351.332 4.145 20 0 FIADHO Fc1ccc([C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000349 1101387747 /nfs/dbraw/zinc/38/77/47/1101387747.db2.gz BKSROJDXAQVPRI-AUSIDOKSSA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000349 1101387761 /nfs/dbraw/zinc/38/77/61/1101387761.db2.gz BKSROJDXAQVPRI-AUSIDOKSSA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000349 1101387770 /nfs/dbraw/zinc/38/77/70/1101387770.db2.gz BKSROJDXAQVPRI-AUSIDOKSSA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000351 1101388470 /nfs/dbraw/zinc/38/84/70/1101388470.db2.gz BKSROJDXAQVPRI-WMZHIEFXSA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000351 1101388481 /nfs/dbraw/zinc/38/84/81/1101388481.db2.gz BKSROJDXAQVPRI-WMZHIEFXSA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000351 1101388492 /nfs/dbraw/zinc/38/84/92/1101388492.db2.gz BKSROJDXAQVPRI-WMZHIEFXSA-N 1 3 352.497 4.431 20 0 FIADHO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414999125 1101469823 /nfs/dbraw/zinc/46/98/23/1101469823.db2.gz IWADBKNEIRPRCX-DHJUGAMNSA-N 1 3 370.512 4.138 20 0 FIADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183377 1102085531 /nfs/dbraw/zinc/08/55/31/1102085531.db2.gz PYWVTJBANDYGPH-GHTZIAJQSA-N 1 3 364.961 4.094 20 0 FIADHO CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183377 1102085545 /nfs/dbraw/zinc/08/55/45/1102085545.db2.gz PYWVTJBANDYGPH-GHTZIAJQSA-N 1 3 364.961 4.094 20 0 FIADHO C[C@@H]1C[C@@H](NCCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000519476873 1102235190 /nfs/dbraw/zinc/23/51/90/1102235190.db2.gz DMUJFANWVNLOKF-MJGOQNOKSA-N 1 3 365.546 4.482 20 0 FIADHO C[C@@H]1C[C@@H](NCCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000519476873 1102235199 /nfs/dbraw/zinc/23/51/99/1102235199.db2.gz DMUJFANWVNLOKF-MJGOQNOKSA-N 1 3 365.546 4.482 20 0 FIADHO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000537631293 1102250903 /nfs/dbraw/zinc/25/09/03/1102250903.db2.gz KOSHPAAEAXVNTE-HSZRJFAPSA-N 1 3 366.553 4.195 20 0 FIADHO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000537631293 1102250907 /nfs/dbraw/zinc/25/09/07/1102250907.db2.gz KOSHPAAEAXVNTE-HSZRJFAPSA-N 1 3 366.553 4.195 20 0 FIADHO COc1ccc(-c2ccncc2)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415053691 1102269898 /nfs/dbraw/zinc/26/98/98/1102269898.db2.gz MRCRSJWIXCXUKY-JOCHJYFZSA-N 1 3 361.489 4.327 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532448475 1102345423 /nfs/dbraw/zinc/34/54/23/1102345423.db2.gz ZOVMGRKWOGTBQU-KRWDZBQOSA-N 1 3 365.521 4.262 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532448475 1102345433 /nfs/dbraw/zinc/34/54/33/1102345433.db2.gz ZOVMGRKWOGTBQU-KRWDZBQOSA-N 1 3 365.521 4.262 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120026514 1102430148 /nfs/dbraw/zinc/43/01/48/1102430148.db2.gz NYBOMVNQOPYACS-MRXNPFEDSA-N 1 3 359.558 4.426 20 0 FIADHO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(CO)c1 ZINC000121812287 1102475310 /nfs/dbraw/zinc/47/53/10/1102475310.db2.gz AYEUNDSHXHNQHF-IBGZPJMESA-N 1 3 352.522 4.406 20 0 FIADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000550882054 1102653439 /nfs/dbraw/zinc/65/34/39/1102653439.db2.gz HPYKZMUOLWBWHY-SCPDWHHUSA-N 1 3 370.581 4.330 20 0 FIADHO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012509 1102782567 /nfs/dbraw/zinc/78/25/67/1102782567.db2.gz RLIXMRKNMIAUIN-RTBURBONSA-N 1 3 359.311 4.374 20 0 FIADHO C[N@H+]1CC[C@@H](NCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012509 1102782578 /nfs/dbraw/zinc/78/25/78/1102782578.db2.gz RLIXMRKNMIAUIN-RTBURBONSA-N 1 3 359.311 4.374 20 0 FIADHO Brc1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167982093 1102790699 /nfs/dbraw/zinc/79/06/99/1102790699.db2.gz WSYGZPMLNHGXMI-MQVJKMGUSA-N 1 3 369.372 4.048 20 0 FIADHO Brc1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167982093 1102790712 /nfs/dbraw/zinc/79/07/12/1102790712.db2.gz WSYGZPMLNHGXMI-MQVJKMGUSA-N 1 3 369.372 4.048 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000506931963 1102968621 /nfs/dbraw/zinc/96/86/21/1102968621.db2.gz ZFAPMUXWFVSQGU-UHFFFAOYSA-N 1 3 368.569 4.102 20 0 FIADHO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263644 1103023339 /nfs/dbraw/zinc/02/33/39/1103023339.db2.gz DDUREAVJZFVRRR-UGKGYDQZSA-N 1 3 356.554 4.084 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000507484048 1103431200 /nfs/dbraw/zinc/43/12/00/1103431200.db2.gz IRXKAQYCTOCPCH-VJFDXUIRSA-N 1 3 356.554 4.080 20 0 FIADHO COC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789933 1103853935 /nfs/dbraw/zinc/85/39/35/1103853935.db2.gz IDSRTACGPAATKR-GHTZIAJQSA-N 1 3 358.913 4.139 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CC1(c3ccccc3)CC1)c1ccccc1O2 ZINC000538268394 1104089500 /nfs/dbraw/zinc/08/95/00/1104089500.db2.gz HHZVODAFPAIGKC-OAQYLSRUSA-N 1 3 362.517 4.296 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394327 1104328611 /nfs/dbraw/zinc/32/86/11/1104328611.db2.gz OHRBHWPSYDOZFQ-IDHHARJASA-N 1 3 350.453 4.298 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441394327 1104328621 /nfs/dbraw/zinc/32/86/21/1104328621.db2.gz OHRBHWPSYDOZFQ-IDHHARJASA-N 1 3 350.453 4.298 20 0 FIADHO Brc1ccc([C@@H](NC2CC[NH+](C3CC3)CC2)C2CC2)s1 ZINC000190575935 1104936067 /nfs/dbraw/zinc/93/60/67/1104936067.db2.gz PJRQBDRFYFYSBD-INIZCTEOSA-N 1 3 355.345 4.178 20 0 FIADHO COc1ccc(OCCN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168009929 1105226379 /nfs/dbraw/zinc/22/63/79/1105226379.db2.gz IPWLDQXXUOPEBQ-CEQLMSFQSA-N 1 3 368.521 4.105 20 0 FIADHO COc1ccc(OCCN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168009929 1105226382 /nfs/dbraw/zinc/22/63/82/1105226382.db2.gz IPWLDQXXUOPEBQ-CEQLMSFQSA-N 1 3 368.521 4.105 20 0 FIADHO COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152434353 1107455294 /nfs/dbraw/zinc/45/52/94/1107455294.db2.gz KZVGBAQAQQCUGX-JPYJTQIMSA-N 1 3 368.496 4.192 20 0 FIADHO COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434353 1107455299 /nfs/dbraw/zinc/45/52/99/1107455299.db2.gz KZVGBAQAQQCUGX-JPYJTQIMSA-N 1 3 368.496 4.192 20 0 FIADHO COc1ccc([C@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000237315353 1107792992 /nfs/dbraw/zinc/79/29/92/1107792992.db2.gz FAFQFGRDCIEXCF-KRWDZBQOSA-N 1 3 354.494 4.019 20 0 FIADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2sccc21 ZINC000453059815 1108137291 /nfs/dbraw/zinc/13/72/91/1108137291.db2.gz AHRGJRBXELXSRI-UTKZUKDTSA-N 1 3 369.578 4.224 20 0 FIADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453089179 1108160179 /nfs/dbraw/zinc/16/01/79/1108160179.db2.gz JXFMKXREVNNYCT-HXUWFJFHSA-N 1 3 350.934 4.272 20 0 FIADHO CCn1ccnc1[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000453105153 1108172561 /nfs/dbraw/zinc/17/25/61/1108172561.db2.gz FFOJYIHYVIGBDY-MRXNPFEDSA-N 1 3 360.933 4.119 20 0 FIADHO FCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000453316458 1108405286 /nfs/dbraw/zinc/40/52/86/1108405286.db2.gz WVOFXCWRWJQXOW-YPAWHYETSA-N 1 3 374.544 4.033 20 0 FIADHO C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525781292 1109516685 /nfs/dbraw/zinc/51/66/85/1109516685.db2.gz MDLZCBPUXLKESB-LJQANCHMSA-N 1 3 360.448 4.242 20 0 FIADHO C[N@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525781292 1109516688 /nfs/dbraw/zinc/51/66/88/1109516688.db2.gz MDLZCBPUXLKESB-LJQANCHMSA-N 1 3 360.448 4.242 20 0 FIADHO Fc1ccc(Br)c2c1CC[C@@H]2NCC1CC[NH+](C2CC2)CC1 ZINC000447580738 1109594803 /nfs/dbraw/zinc/59/48/03/1109594803.db2.gz RFIOQIMQTMUSIP-KRWDZBQOSA-N 1 3 367.306 4.040 20 0 FIADHO C[NH+](C)CCOC1CCN(Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000447727229 1109627546 /nfs/dbraw/zinc/62/75/46/1109627546.db2.gz AVNYITVSFVJHNG-UHFFFAOYSA-N 1 3 372.484 4.161 20 0 FIADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527884550 1109849596 /nfs/dbraw/zinc/84/95/96/1109849596.db2.gz GJPGSRJWIBPRIO-NSHDSACASA-N 1 3 361.274 4.110 20 0 FIADHO Cc1cccc([C@H](NCc2ccncc2OCCC[NH+](C)C)C(C)C)c1 ZINC000527898209 1109853973 /nfs/dbraw/zinc/85/39/73/1109853973.db2.gz HXVIAQMSSGMHAZ-JOCHJYFZSA-N 1 3 355.526 4.207 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1CN1CCCCC1 ZINC000527933522 1109870210 /nfs/dbraw/zinc/87/02/10/1109870210.db2.gz VMAZYFUVVTWXTR-OALUTQOASA-N 1 3 360.542 4.148 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCc2cn3c(n2)CCCC3)CC1 ZINC000449077665 1109974556 /nfs/dbraw/zinc/97/45/56/1109974556.db2.gz SKNQKYDLSCHAOH-UHFFFAOYSA-N 1 3 360.590 4.031 20 0 FIADHO COc1cccc2c(CNCc3ccccc3OCC[NH+](C)C)cccc12 ZINC000449105224 1109976920 /nfs/dbraw/zinc/97/69/20/1109976920.db2.gz HTLUQPASLVMABS-UHFFFAOYSA-N 1 3 364.489 4.079 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000449316963 1110031083 /nfs/dbraw/zinc/03/10/83/1110031083.db2.gz APKUFBXLNGLNQG-QZTJIDSGSA-N 1 3 362.521 4.309 20 0 FIADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343239 1110034724 /nfs/dbraw/zinc/03/47/24/1110034724.db2.gz IXGLJMWFHLZNFB-XZOQPEGZSA-N 1 3 370.581 4.474 20 0 FIADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000461385687 1111192570 /nfs/dbraw/zinc/19/25/70/1111192570.db2.gz ICFMQBMQMVQKHP-IAGOWNOFSA-N 1 3 366.496 4.336 20 0 FIADHO FC(F)(F)Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168359503 1111205122 /nfs/dbraw/zinc/20/51/22/1111205122.db2.gz AVQBWVAYTCDBTF-KRWDZBQOSA-N 1 3 354.416 4.037 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746667 1111279157 /nfs/dbraw/zinc/27/91/57/1111279157.db2.gz RCVVIQFBZDPNJC-XQBPLPMBSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746667 1111279160 /nfs/dbraw/zinc/27/91/60/1111279160.db2.gz RCVVIQFBZDPNJC-XQBPLPMBSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060193 1111406634 /nfs/dbraw/zinc/40/66/34/1111406634.db2.gz PZAVOMHUYCQTJP-UYHISHBKSA-N 1 3 357.325 4.022 20 0 FIADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539218639 1111480310 /nfs/dbraw/zinc/48/03/10/1111480310.db2.gz XMPNSUFRAYNJDA-ZRBLBEILSA-N 1 3 374.544 4.415 20 0 FIADHO C[C@H](O)[C@@](C)(CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)Cc1ccccc1 ZINC000477858847 1111580014 /nfs/dbraw/zinc/58/00/14/1111580014.db2.gz MWUDVJKBELXPND-CDPNLFKUSA-N 1 3 372.597 4.249 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477915476 1111597886 /nfs/dbraw/zinc/59/78/86/1111597886.db2.gz CHAUONBHDCLTGD-HNNXBMFYSA-N 1 3 358.555 4.286 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000552224171 1111623390 /nfs/dbraw/zinc/62/33/90/1111623390.db2.gz LVYRVQNTIGRCPE-CVDCTZTESA-N 1 3 367.537 4.086 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055368 1111938061 /nfs/dbraw/zinc/93/80/61/1111938061.db2.gz FICPBTQCSNDUSM-HACGYAERSA-N 1 3 351.332 4.244 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055368 1111938063 /nfs/dbraw/zinc/93/80/63/1111938063.db2.gz FICPBTQCSNDUSM-HACGYAERSA-N 1 3 351.332 4.244 20 0 FIADHO Cc1ccc2nccc(NCc3ccc(OC4CC[NH+](C)CC4)cc3)c2c1 ZINC000553592615 1112014241 /nfs/dbraw/zinc/01/42/41/1112014241.db2.gz TZLZDIKORPXUEO-UHFFFAOYSA-N 1 3 361.489 4.050 20 0 FIADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)CC1 ZINC000667688456 1112460313 /nfs/dbraw/zinc/46/03/13/1112460313.db2.gz SQCGGSTWLBOUMW-UHFFFAOYSA-N 1 3 369.597 4.335 20 0 FIADHO Clc1sccc1CNCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000480669626 1112536680 /nfs/dbraw/zinc/53/66/80/1112536680.db2.gz VFNNDHZHRBHKJS-UHFFFAOYSA-N 1 3 363.958 4.094 20 0 FIADHO Clc1sccc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000480669626 1112536685 /nfs/dbraw/zinc/53/66/85/1112536685.db2.gz VFNNDHZHRBHKJS-UHFFFAOYSA-N 1 3 363.958 4.094 20 0 FIADHO c1cc(C[NH+]2CCCC2)ccc1CNCc1ccc(OCC2CC2)cc1 ZINC000480664998 1112543110 /nfs/dbraw/zinc/54/31/10/1112543110.db2.gz FJMKOQWWPLBBNQ-UHFFFAOYSA-N 1 3 350.506 4.361 20 0 FIADHO C[C@@H]1C[C@H](N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745485 1112583638 /nfs/dbraw/zinc/58/36/38/1112583638.db2.gz OLIAEJIZOAIMMU-LQAWEQHXSA-N 1 3 355.295 4.112 20 0 FIADHO C[C@@H]1C[C@H](N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745485 1112583644 /nfs/dbraw/zinc/58/36/44/1112583644.db2.gz OLIAEJIZOAIMMU-LQAWEQHXSA-N 1 3 355.295 4.112 20 0 FIADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914691 1112668445 /nfs/dbraw/zinc/66/84/45/1112668445.db2.gz VFOMUZMYYHTFRX-DVECYGJZSA-N 1 3 363.549 4.162 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536837 1112913544 /nfs/dbraw/zinc/91/35/44/1112913544.db2.gz ABJGDEPZEZCZIM-WBVHZDCISA-N 1 3 365.359 4.016 20 0 FIADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732139 1113058806 /nfs/dbraw/zinc/05/88/06/1113058806.db2.gz DWZRYNCQVUZFRU-SJORKVTESA-N 1 3 355.295 4.113 20 0 FIADHO CCCN1CCC([N@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000481886568 1113124247 /nfs/dbraw/zinc/12/42/47/1113124247.db2.gz AZHKGQCLTKCEAK-UHFFFAOYSA-N 1 3 370.493 4.039 20 0 FIADHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000481886568 1113124251 /nfs/dbraw/zinc/12/42/51/1113124251.db2.gz AZHKGQCLTKCEAK-UHFFFAOYSA-N 1 3 370.493 4.039 20 0 FIADHO FC(F)Oc1cccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000065234837 1113204346 /nfs/dbraw/zinc/20/43/46/1113204346.db2.gz PNOAXWJWJVDEIY-UHFFFAOYSA-N 1 3 352.469 4.376 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434946 1113254031 /nfs/dbraw/zinc/25/40/31/1113254031.db2.gz HGGDXCWGMARFSB-OFNKIYASSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434946 1113254041 /nfs/dbraw/zinc/25/40/41/1113254041.db2.gz HGGDXCWGMARFSB-OFNKIYASSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434946 1113254043 /nfs/dbraw/zinc/25/40/43/1113254043.db2.gz HGGDXCWGMARFSB-OFNKIYASSA-N 1 3 352.522 4.301 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441435 1113257187 /nfs/dbraw/zinc/25/71/87/1113257187.db2.gz VBGJVNANOBGTBG-IRLDBZIGSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441435 1113257193 /nfs/dbraw/zinc/25/71/93/1113257193.db2.gz VBGJVNANOBGTBG-IRLDBZIGSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441435 1113257198 /nfs/dbraw/zinc/25/71/98/1113257198.db2.gz VBGJVNANOBGTBG-IRLDBZIGSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000162932789 1113258684 /nfs/dbraw/zinc/25/86/84/1113258684.db2.gz FHHCQUAQUNPMTO-QGZVFWFLSA-N 1 3 355.501 4.338 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000483137038 1113446017 /nfs/dbraw/zinc/44/60/17/1113446017.db2.gz SZXDMYGEAAPVQU-LNLFQRSKSA-N 1 3 364.599 4.415 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000483137038 1113446023 /nfs/dbraw/zinc/44/60/23/1113446023.db2.gz SZXDMYGEAAPVQU-LNLFQRSKSA-N 1 3 364.599 4.415 20 0 FIADHO c1ccc2c(c1)sc1c2CCC[C@H]1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483219529 1113467240 /nfs/dbraw/zinc/46/72/40/1113467240.db2.gz UGCOASIGJKXVSF-OXQOHEQNSA-N 1 3 370.562 4.369 20 0 FIADHO C[NH+](C)CCCCN[C@@H](c1ccccc1)c1ccccc1Br ZINC000490157421 1114219587 /nfs/dbraw/zinc/21/95/87/1114219587.db2.gz MEQPYUUCCCVRAL-IBGZPJMESA-N 1 3 361.327 4.470 20 0 FIADHO Fc1ccc(C2(NCc3ccc(OCC[NH+]4CCCC4)cc3)CCC2)cc1 ZINC000588179239 1114549751 /nfs/dbraw/zinc/54/97/51/1114549751.db2.gz OSUFONLWGKSPSO-UHFFFAOYSA-N 1 3 368.496 4.469 20 0 FIADHO C[C@H](c1ccccc1Cl)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710758 1114601913 /nfs/dbraw/zinc/60/19/13/1114601913.db2.gz LARARRYYLMKYRW-BRWVUGGUSA-N 1 3 350.934 4.222 20 0 FIADHO CSc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000572895395 1114805274 /nfs/dbraw/zinc/80/52/74/1114805274.db2.gz WLOITPPZQXYGJA-HOTGVXAUSA-N 1 3 368.612 4.181 20 0 FIADHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000593608256 1115335343 /nfs/dbraw/zinc/33/53/43/1115335343.db2.gz KPHSEZSZLBULDB-QGZVFWFLSA-N 1 3 352.563 4.131 20 0 FIADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415469 1115822218 /nfs/dbraw/zinc/82/22/18/1115822218.db2.gz BQOYBDAHNGKMSU-NRFANRHFSA-N 1 3 372.915 4.372 20 0 FIADHO CCC(CC)(C[NH2+]Cc1cnc2ccccn12)N[C@@H](C)c1ccccc1 ZINC000606914084 1115983053 /nfs/dbraw/zinc/98/30/53/1115983053.db2.gz OOVYOFZZJMWNMF-SFHVURJKSA-N 1 3 350.510 4.334 20 0 FIADHO CC(C)[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2ccccc2o1 ZINC000539559772 1116343989 /nfs/dbraw/zinc/34/39/89/1116343989.db2.gz BZYWQXRUURTQBS-JOCHJYFZSA-N 1 3 367.493 4.255 20 0 FIADHO CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000539838253 1116386568 /nfs/dbraw/zinc/38/65/68/1116386568.db2.gz MWFBAKPKUZTLLJ-DOTOQJQBSA-N 1 3 368.949 4.442 20 0 FIADHO CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000539838253 1116386569 /nfs/dbraw/zinc/38/65/69/1116386569.db2.gz MWFBAKPKUZTLLJ-DOTOQJQBSA-N 1 3 368.949 4.442 20 0 FIADHO CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000539838256 1116386651 /nfs/dbraw/zinc/38/66/51/1116386651.db2.gz MWFBAKPKUZTLLJ-WBVHZDCISA-N 1 3 368.949 4.442 20 0 FIADHO CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000539838256 1116386653 /nfs/dbraw/zinc/38/66/53/1116386653.db2.gz MWFBAKPKUZTLLJ-WBVHZDCISA-N 1 3 368.949 4.442 20 0 FIADHO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539862319 1116392138 /nfs/dbraw/zinc/39/21/38/1116392138.db2.gz MJHZJFPPCYDDKU-HXUWFJFHSA-N 1 3 368.521 4.048 20 0 FIADHO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539862319 1116392139 /nfs/dbraw/zinc/39/21/39/1116392139.db2.gz MJHZJFPPCYDDKU-HXUWFJFHSA-N 1 3 368.521 4.048 20 0 FIADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462783467 1117765776 /nfs/dbraw/zinc/76/57/76/1117765776.db2.gz PDUHEJFDBSNCTO-PKTZIBPZSA-N 1 3 356.554 4.202 20 0 FIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1csc(-c2ccccc2F)n1 ZINC000462802292 1117785673 /nfs/dbraw/zinc/78/56/73/1117785673.db2.gz KRCXEQLPBVYBLZ-AWEZNQCLSA-N 1 3 359.514 4.474 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000463090662 1117962388 /nfs/dbraw/zinc/96/23/88/1117962388.db2.gz SSDMLFZBIBJDQL-NRFANRHFSA-N 1 3 368.569 4.465 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262174 1117962657 /nfs/dbraw/zinc/96/26/57/1117962657.db2.gz GMXYUXYROXNBLD-KDOFPFPSSA-N 1 3 351.332 4.222 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262174 1117962658 /nfs/dbraw/zinc/96/26/58/1117962658.db2.gz GMXYUXYROXNBLD-KDOFPFPSSA-N 1 3 351.332 4.222 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000540262422 1117963044 /nfs/dbraw/zinc/96/30/44/1117963044.db2.gz IHNTUPOZUGSQCH-LJQANCHMSA-N 1 3 372.384 4.308 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000463109393 1117967803 /nfs/dbraw/zinc/96/78/03/1117967803.db2.gz QWNKVUACQVMJGM-NRFANRHFSA-N 1 3 368.569 4.323 20 0 FIADHO Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000463109393 1117967806 /nfs/dbraw/zinc/96/78/06/1117967806.db2.gz QWNKVUACQVMJGM-NRFANRHFSA-N 1 3 368.569 4.323 20 0 FIADHO Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000463109393 1117967808 /nfs/dbraw/zinc/96/78/08/1117967808.db2.gz QWNKVUACQVMJGM-NRFANRHFSA-N 1 3 368.569 4.323 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCC4CCOCC4)[C@@H]3C2)cc1 ZINC000463238335 1118046579 /nfs/dbraw/zinc/04/65/79/1118046579.db2.gz UJWRSKTVNQJGSC-YTFSRNRJSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@H](CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000463264424 1118058757 /nfs/dbraw/zinc/05/87/57/1118058757.db2.gz GDJABVTZEZQUDE-GOSISDBHSA-N 1 3 363.977 4.159 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O2 ZINC000540491580 1118091016 /nfs/dbraw/zinc/09/10/16/1118091016.db2.gz FBPASDMLHHWQHO-NNWRFLSQSA-N 1 3 362.517 4.195 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000541740815 1118628989 /nfs/dbraw/zinc/62/89/89/1118628989.db2.gz DWWPVEJTKJTXJC-LJQANCHMSA-N 1 3 360.933 4.026 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195739 1119043897 /nfs/dbraw/zinc/04/38/97/1119043897.db2.gz XBTMHHZLEYEKBP-ZRAXVTTISA-N 1 3 370.562 4.393 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195739 1119043902 /nfs/dbraw/zinc/04/39/02/1119043902.db2.gz XBTMHHZLEYEKBP-ZRAXVTTISA-N 1 3 370.562 4.393 20 0 FIADHO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311066294 1119356366 /nfs/dbraw/zinc/35/63/66/1119356366.db2.gz JKVJXSWGIMAYNZ-AEFFLSMTSA-N 1 3 357.567 4.441 20 0 FIADHO Fc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000311803562 1119389700 /nfs/dbraw/zinc/38/97/00/1119389700.db2.gz NXBDADUTKBHUEY-KRWDZBQOSA-N 1 3 366.402 4.456 20 0 FIADHO CO[C@@H](c1ccccc1)[C@H](C)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896956 1119507918 /nfs/dbraw/zinc/50/79/18/1119507918.db2.gz KLQWYWAEUYOEKC-WMZHIEFXSA-N 1 3 352.522 4.325 20 0 FIADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493923712 1119509642 /nfs/dbraw/zinc/50/96/42/1119509642.db2.gz DKJNDPWZBOCARB-STCOUPBVSA-N 1 3 351.332 4.158 20 0 FIADHO C[C@H](O)[C@](C)(CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000188917031 1119805881 /nfs/dbraw/zinc/80/58/81/1119805881.db2.gz BKGZANILNHFYET-CVDCTZTESA-N 1 3 358.570 4.003 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3ccc(Br)cc32)c1 ZINC000193972064 1120222739 /nfs/dbraw/zinc/22/27/39/1120222739.db2.gz UWJZBIIUMIMHKY-IBGZPJMESA-N 1 3 359.311 4.288 20 0 FIADHO C[N@H+](CCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882552 1120356461 /nfs/dbraw/zinc/35/64/61/1120356461.db2.gz ZVHNQTKTABTBJB-NFBKMPQASA-N 1 3 370.512 4.405 20 0 FIADHO C[N@@H+](CCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882552 1120356465 /nfs/dbraw/zinc/35/64/65/1120356465.db2.gz ZVHNQTKTABTBJB-NFBKMPQASA-N 1 3 370.512 4.405 20 0 FIADHO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000542533270 1120432342 /nfs/dbraw/zinc/43/23/42/1120432342.db2.gz KXLAJIIEBCQYKG-WBVHZDCISA-N 1 3 370.459 4.370 20 0 FIADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000495434212 1120809094 /nfs/dbraw/zinc/80/90/94/1120809094.db2.gz QSBIOIUUFVFPHA-WFXMLNOXSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000495434212 1120809105 /nfs/dbraw/zinc/80/91/05/1120809105.db2.gz QSBIOIUUFVFPHA-WFXMLNOXSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495434211 1120809323 /nfs/dbraw/zinc/80/93/23/1120809323.db2.gz QSBIOIUUFVFPHA-WAOWUJCRSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434211 1120809326 /nfs/dbraw/zinc/80/93/26/1120809326.db2.gz QSBIOIUUFVFPHA-WAOWUJCRSA-N 1 3 350.506 4.278 20 0 FIADHO COc1ccc([C@@H]2C[C@@H](N[C@@H](CC[NH+](C)C)c3ccccc3)CCO2)cc1 ZINC001168585270 1121518339 /nfs/dbraw/zinc/51/83/39/1121518339.db2.gz GYWROEFWBTWCPT-PMVMPFDFSA-N 1 3 368.521 4.198 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497518966 1122269176 /nfs/dbraw/zinc/26/91/76/1122269176.db2.gz AEJDLARQJVIUKY-OAQYLSRUSA-N 1 3 357.542 4.137 20 0 FIADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556232855 1122749840 /nfs/dbraw/zinc/74/98/40/1122749840.db2.gz LGNIDBIDOUUSCD-YPAWHYETSA-N 1 3 356.554 4.084 20 0 FIADHO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230586 1122756949 /nfs/dbraw/zinc/75/69/49/1122756949.db2.gz OUFMFCHCHOHKOT-FGZHOGPDSA-N 1 3 370.581 4.474 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]C2c3ccccc3-c3ccccc32)C[C@@H](C)O1 ZINC000498451299 1122801091 /nfs/dbraw/zinc/80/10/91/1122801091.db2.gz GDUCQBWXPIENCH-QZTJIDSGSA-N 1 3 350.506 4.235 20 0 FIADHO COc1cccc(C2([NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000556912145 1123204115 /nfs/dbraw/zinc/20/41/15/1123204115.db2.gz QVZYXTVQDPAKMQ-ICSRJNTNSA-N 1 3 350.506 4.185 20 0 FIADHO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000499196956 1123316575 /nfs/dbraw/zinc/31/65/75/1123316575.db2.gz SUZWYTNSYUEREU-DKUWSORSSA-N 1 3 350.506 4.289 20 0 FIADHO Cc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000133091130 1123416492 /nfs/dbraw/zinc/41/64/92/1123416492.db2.gz WPANCDOJZXONFM-UHFFFAOYSA-N 1 3 351.538 4.124 20 0 FIADHO C[C@H](N[C@H]1CCCOc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000133465891 1123489821 /nfs/dbraw/zinc/48/98/21/1123489821.db2.gz USXJYDMYFNPYRR-UWJYYQICSA-N 1 3 354.494 4.192 20 0 FIADHO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000245642362 1124159576 /nfs/dbraw/zinc/15/95/76/1124159576.db2.gz BAMXELQTADKEFA-OWZKRDHZSA-N 1 3 354.469 4.120 20 0 FIADHO c1cn(-c2ccccc2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000245660193 1124176490 /nfs/dbraw/zinc/17/64/90/1124176490.db2.gz FNGHYUBVYGYYLZ-NUNAXRQHSA-N 1 3 372.516 4.158 20 0 FIADHO Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)oc2cc1C ZINC000246500336 1124517125 /nfs/dbraw/zinc/51/71/25/1124517125.db2.gz SOADPUBJPVQBDF-DZFGPLHGSA-N 1 3 370.537 4.468 20 0 FIADHO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cn1 ZINC000247010087 1124580725 /nfs/dbraw/zinc/58/07/25/1124580725.db2.gz LCXFYMDEHNJAKJ-PKOBYXMFSA-N 1 3 369.509 4.093 20 0 FIADHO CCN1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248444836 1124769448 /nfs/dbraw/zinc/76/94/48/1124769448.db2.gz WHJGPTHPVNENEH-VQTJNVASSA-N 1 3 367.940 4.077 20 0 FIADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000248457625 1124773309 /nfs/dbraw/zinc/77/33/09/1124773309.db2.gz TVMGNQQGTZXBND-RBBKRZOGSA-N 1 3 370.924 4.074 20 0 FIADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000248457625 1124773322 /nfs/dbraw/zinc/77/33/22/1124773322.db2.gz TVMGNQQGTZXBND-RBBKRZOGSA-N 1 3 370.924 4.074 20 0 FIADHO COc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318298 1125298003 /nfs/dbraw/zinc/29/80/03/1125298003.db2.gz ASSNEMDAKDGZPZ-NQIIRXRSSA-N 1 3 368.521 4.189 20 0 FIADHO COc1cccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1OC ZINC000093318298 1125298006 /nfs/dbraw/zinc/29/80/06/1125298006.db2.gz ASSNEMDAKDGZPZ-NQIIRXRSSA-N 1 3 368.521 4.189 20 0 FIADHO COCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563120759 568221989 /nfs/dbraw/zinc/22/19/89/568221989.db2.gz HVGVJRHIMCTLJZ-QFIPXVFZSA-N 1 3 350.506 4.120 20 0 FIADHO COCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563120759 568221990 /nfs/dbraw/zinc/22/19/90/568221990.db2.gz HVGVJRHIMCTLJZ-QFIPXVFZSA-N 1 3 350.506 4.120 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@@H](C)C1 ZINC000604418260 568276231 /nfs/dbraw/zinc/27/62/31/568276231.db2.gz NZWMTEKFNOFWCZ-UGKGYDQZSA-N 1 3 370.537 4.482 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000604418447 568276271 /nfs/dbraw/zinc/27/62/71/568276271.db2.gz ZNNKSJYPMXSBQL-KDOFPFPSSA-N 1 3 359.341 4.220 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594912 568333722 /nfs/dbraw/zinc/33/37/22/568333722.db2.gz HGBMYOQDTOZKBJ-VSKRKVRLSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000431594912 568333723 /nfs/dbraw/zinc/33/37/23/568333723.db2.gz HGBMYOQDTOZKBJ-VSKRKVRLSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCC[N@@H+](CC[C@@H](C)N2CCC[C@H](OCCC)CC2)CC1 ZINC000431594912 568333724 /nfs/dbraw/zinc/33/37/24/568333724.db2.gz HGBMYOQDTOZKBJ-VSKRKVRLSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCC[N@H+](CC[C@@H](C)N2CCC[C@H](OCCC)CC2)CC1 ZINC000431594912 568333725 /nfs/dbraw/zinc/33/37/25/568333725.db2.gz HGBMYOQDTOZKBJ-VSKRKVRLSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333918 /nfs/dbraw/zinc/33/39/18/568333918.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333919 /nfs/dbraw/zinc/33/39/19/568333919.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN([C@H](C)CC[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333920 /nfs/dbraw/zinc/33/39/20/568333920.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN([C@H](C)CC[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594913 568333921 /nfs/dbraw/zinc/33/39/21/568333921.db2.gz HGBMYOQDTOZKBJ-YPAWHYETSA-N 1 3 368.606 4.327 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc([C@@H](C)O)cc2)ccc1OC ZINC000182574629 1125573083 /nfs/dbraw/zinc/57/30/83/1125573083.db2.gz KSYDHQWNRWIWNX-ZWKOTPCHSA-N 1 3 370.537 4.441 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCc2ccc(C)nc2)cc1CN1CCCCC1 ZINC000182947355 1125697547 /nfs/dbraw/zinc/69/75/47/1125697547.db2.gz FQUPJKGDHPWVHG-IBGZPJMESA-N 1 3 367.537 4.278 20 0 FIADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000544827691 1079554285 /nfs/dbraw/zinc/55/42/85/1079554285.db2.gz IJWKWLVUTXJVKL-QRWLVFNGSA-N 1 3 350.934 4.413 20 0 FIADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000154143439 1080004150 /nfs/dbraw/zinc/00/41/50/1080004150.db2.gz VNUZVJYIYFNABT-FDDCHVKYSA-N 1 3 364.533 4.290 20 0 FIADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000154143439 1080004157 /nfs/dbraw/zinc/00/41/57/1080004157.db2.gz VNUZVJYIYFNABT-FDDCHVKYSA-N 1 3 364.533 4.290 20 0 FIADHO C[NH+](C)C1CCN(CCN[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180712199 1080541446 /nfs/dbraw/zinc/54/14/46/1080541446.db2.gz HXHKVLPGGPXWKA-JOCHJYFZSA-N 1 3 371.956 4.045 20 0 FIADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc2cnccc2c1 ZINC000683771614 1081533257 /nfs/dbraw/zinc/53/32/57/1081533257.db2.gz XGLGZNQMGMOABG-RTBURBONSA-N 1 3 359.517 4.481 20 0 FIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000471611345 1082093417 /nfs/dbraw/zinc/09/34/17/1082093417.db2.gz PPQLEUZMJRRHCA-FKBYEOEOSA-N 1 3 356.554 4.038 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126409873 1082141453 /nfs/dbraw/zinc/14/14/53/1082141453.db2.gz HOKXJXKPYSPMCC-ZNDGOPKYSA-N 1 3 372.557 4.226 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126409873 1082141456 /nfs/dbraw/zinc/14/14/56/1082141456.db2.gz HOKXJXKPYSPMCC-ZNDGOPKYSA-N 1 3 372.557 4.226 20 0 FIADHO Cc1cccc2c1OC[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000581101573 1082315023 /nfs/dbraw/zinc/31/50/23/1082315023.db2.gz MIZVAHPDPPJFQF-GPJHCHHRSA-N 1 3 362.517 4.084 20 0 FIADHO Cc1cccc2c1OC[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101573 1082315030 /nfs/dbraw/zinc/31/50/30/1082315030.db2.gz MIZVAHPDPPJFQF-GPJHCHHRSA-N 1 3 362.517 4.084 20 0 FIADHO CSC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(C(F)(F)F)cc1 ZINC000581370552 1082499740 /nfs/dbraw/zinc/49/97/40/1082499740.db2.gz AVRMFDMPOYNTGF-QGZVFWFLSA-N 1 3 354.441 4.358 20 0 FIADHO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430581511 1082519505 /nfs/dbraw/zinc/51/95/05/1082519505.db2.gz OQWCGICURZOUTO-ZWOKBUDYSA-N 1 3 351.494 4.059 20 0 FIADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000684394902 1082828043 /nfs/dbraw/zinc/82/80/43/1082828043.db2.gz OAHLTNVATQNGQA-RBZQAINGSA-N 1 3 363.549 4.213 20 0 FIADHO Clc1ccc2cccnc2c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000684410229 1082856018 /nfs/dbraw/zinc/85/60/18/1082856018.db2.gz AZXMQIDWPMMEID-SFHVURJKSA-N 1 3 365.908 4.500 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2c1ccc(OC)c2F ZINC000581876803 1082948634 /nfs/dbraw/zinc/94/86/34/1082948634.db2.gz VSWDNABGDSPHJG-FQEVSTJZSA-N 1 3 356.485 4.453 20 0 FIADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884025 1082971459 /nfs/dbraw/zinc/97/14/59/1082971459.db2.gz ODGLYAAIEWYUPT-RTWAWAEBSA-N 1 3 366.553 4.275 20 0 FIADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884025 1082971462 /nfs/dbraw/zinc/97/14/62/1082971462.db2.gz ODGLYAAIEWYUPT-RTWAWAEBSA-N 1 3 366.553 4.275 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000535811360 1083681287 /nfs/dbraw/zinc/68/12/87/1083681287.db2.gz LCUAKKWPITUXFI-UHFFFAOYSA-N 1 3 367.537 4.213 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000535811360 1083681292 /nfs/dbraw/zinc/68/12/92/1083681292.db2.gz LCUAKKWPITUXFI-UHFFFAOYSA-N 1 3 367.537 4.213 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000535813276 1083685426 /nfs/dbraw/zinc/68/54/26/1083685426.db2.gz YWFLJNJWOJFOBZ-UHFFFAOYSA-N 1 3 355.501 4.440 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000535813276 1083685436 /nfs/dbraw/zinc/68/54/36/1083685436.db2.gz YWFLJNJWOJFOBZ-UHFFFAOYSA-N 1 3 355.501 4.440 20 0 FIADHO c1csc(-c2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2)c1 ZINC000657363955 1084744080 /nfs/dbraw/zinc/74/40/80/1084744080.db2.gz FTFGZUXEXWMPEL-GOSISDBHSA-N 1 3 356.535 4.006 20 0 FIADHO CCC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000414295677 1084987504 /nfs/dbraw/zinc/98/75/04/1084987504.db2.gz DLXGSGCGXCTKIR-FQEVSTJZSA-N 1 3 358.551 4.206 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C[C@@H](C)O1 ZINC000652166534 1085734040 /nfs/dbraw/zinc/73/40/40/1085734040.db2.gz VHTBRZOWHUVUGX-WOIUINJBSA-N 1 3 359.558 4.182 20 0 FIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347990 1085919157 /nfs/dbraw/zinc/91/91/57/1085919157.db2.gz QTEIBWOQEBOWEA-PXMRGAAZSA-N 1 3 357.325 4.273 20 0 FIADHO C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350240 1085927433 /nfs/dbraw/zinc/92/74/33/1085927433.db2.gz NITLCHURBBOOLQ-SDCOAXJVSA-N 1 3 357.325 4.273 20 0 FIADHO Clc1cccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)c1 ZINC000662294057 1086400084 /nfs/dbraw/zinc/40/00/84/1086400084.db2.gz AMSFPTGBOGBQFN-QGZVFWFLSA-N 1 3 359.901 4.207 20 0 FIADHO C[N@H+](Cc1ccccc1NC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662661339 1086518743 /nfs/dbraw/zinc/51/87/43/1086518743.db2.gz PQFOLDIGYLNBIN-UHFFFAOYSA-N 1 3 363.505 4.307 20 0 FIADHO C[N@@H+](Cc1ccccc1NC(=O)c1cccc2c1CNC2)C1CCCCC1 ZINC000662661339 1086518747 /nfs/dbraw/zinc/51/87/47/1086518747.db2.gz PQFOLDIGYLNBIN-UHFFFAOYSA-N 1 3 363.505 4.307 20 0 FIADHO C[NH+]1CCC(N[C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663437354 1086541628 /nfs/dbraw/zinc/54/16/28/1086541628.db2.gz MSFAUBCQHYEWCM-HNNXBMFYSA-N 1 3 355.345 4.060 20 0 FIADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)CC3 ZINC000663468539 1086572127 /nfs/dbraw/zinc/57/21/27/1086572127.db2.gz LWCVRGLJVHKDQW-RTBURBONSA-N 1 3 351.538 4.045 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccc(F)c(F)c1 ZINC000511993390 1086599836 /nfs/dbraw/zinc/59/98/36/1086599836.db2.gz XIMQYFAOZPKLHL-PPTUWVGOSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccc(F)c(F)c1 ZINC000511993390 1086599838 /nfs/dbraw/zinc/59/98/38/1086599838.db2.gz XIMQYFAOZPKLHL-PPTUWVGOSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338792 1086675542 /nfs/dbraw/zinc/67/55/42/1086675542.db2.gz UCPFJBOKVJZOSK-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338792 1086675550 /nfs/dbraw/zinc/67/55/50/1086675550.db2.gz UCPFJBOKVJZOSK-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000583456814 1086700598 /nfs/dbraw/zinc/70/05/98/1086700598.db2.gz ZWMQYRXFGQDGHF-VHJOFQCFSA-N 1 3 368.565 4.224 20 0 FIADHO CCOc1cc2c(cc1OCC)CN([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167842005 1086742641 /nfs/dbraw/zinc/74/26/41/1086742641.db2.gz VPGDQFSBRUDXKY-GOSISDBHSA-N 1 3 362.558 4.353 20 0 FIADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000650722534 1086818713 /nfs/dbraw/zinc/81/87/13/1086818713.db2.gz WBTIGQRMYLKIHT-UXPWSPDFSA-N 1 3 374.525 4.415 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000650757983 1086971457 /nfs/dbraw/zinc/97/14/57/1086971457.db2.gz GBLIOJZXIIJULW-AWEZNQCLSA-N 1 3 352.507 4.084 20 0 FIADHO c1cnc2c(c1)cccc2OCCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000089627841 1087388217 /nfs/dbraw/zinc/38/82/17/1087388217.db2.gz ISHJJIRWDFUNKV-UHFFFAOYSA-N 1 3 353.510 4.000 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000090524297 1087411913 /nfs/dbraw/zinc/41/19/13/1087411913.db2.gz ZMQGPBWLBNFYJO-AGRHKRQWSA-N 1 3 371.352 4.412 20 0 FIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470328 1087577604 /nfs/dbraw/zinc/57/76/04/1087577604.db2.gz HAJBPTGDQUCJQM-JTSKRJEESA-N 1 3 356.485 4.177 20 0 FIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470328 1087577607 /nfs/dbraw/zinc/57/76/07/1087577607.db2.gz HAJBPTGDQUCJQM-JTSKRJEESA-N 1 3 356.485 4.177 20 0 FIADHO C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318407 1087688223 /nfs/dbraw/zinc/68/82/23/1087688223.db2.gz UCEBUKCDPORQEE-PXNSSMCTSA-N 1 3 354.542 4.192 20 0 FIADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318407 1087688225 /nfs/dbraw/zinc/68/82/25/1087688225.db2.gz UCEBUKCDPORQEE-PXNSSMCTSA-N 1 3 354.542 4.192 20 0 FIADHO Cc1ccc2cc([C@@H](C)NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)oc2c1 ZINC000658141924 1087734002 /nfs/dbraw/zinc/73/40/02/1087734002.db2.gz XVJXFVTZGLWDTJ-UTKZUKDTSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1ccc2cc([C@@H](C)NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc2c1 ZINC000658141924 1087734011 /nfs/dbraw/zinc/73/40/11/1087734011.db2.gz XVJXFVTZGLWDTJ-UTKZUKDTSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1ccc([C@H](NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CCCC2)o1 ZINC000658142421 1087734916 /nfs/dbraw/zinc/73/49/16/1087734916.db2.gz YGRHUUSMBIZBQK-JTHBVZDNSA-N 1 3 368.521 4.176 20 0 FIADHO Cc1ccc([C@H](NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CCCC2)o1 ZINC000658142421 1087734919 /nfs/dbraw/zinc/73/49/19/1087734919.db2.gz YGRHUUSMBIZBQK-JTHBVZDNSA-N 1 3 368.521 4.176 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143216 1087735268 /nfs/dbraw/zinc/73/52/68/1087735268.db2.gz XSORSJHFQDGXHX-PXNSSMCTSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143216 1087735274 /nfs/dbraw/zinc/73/52/74/1087735274.db2.gz XSORSJHFQDGXHX-PXNSSMCTSA-N 1 3 370.562 4.216 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658163985 1087758055 /nfs/dbraw/zinc/75/80/55/1087758055.db2.gz MFCCEEAAXOJNRZ-LSTHTHJFSA-N 1 3 355.551 4.137 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000658163896 1087758251 /nfs/dbraw/zinc/75/82/51/1087758251.db2.gz BXTAEBIXAIOGKW-INIZCTEOSA-N 1 3 351.485 4.097 20 0 FIADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166255 1087761943 /nfs/dbraw/zinc/76/19/43/1087761943.db2.gz NHZGJVTXDIMBEV-SFHVURJKSA-N 1 3 355.501 4.044 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnc2ccsc2c1 ZINC000658167922 1087762358 /nfs/dbraw/zinc/76/23/58/1087762358.db2.gz USTMVAKOIZMEDO-INIZCTEOSA-N 1 3 366.534 4.254 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2n1 ZINC000658168336 1087764372 /nfs/dbraw/zinc/76/43/72/1087764372.db2.gz VYTFPOHXHVRGGH-SFHVURJKSA-N 1 3 360.505 4.193 20 0 FIADHO Fc1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647542688 1088013884 /nfs/dbraw/zinc/01/38/84/1088013884.db2.gz ABBYVYMHAKRSCF-SJORKVTESA-N 1 3 359.514 4.161 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000414812122 1088220428 /nfs/dbraw/zinc/22/04/28/1088220428.db2.gz KKYYGEQFYKONGH-CYBMUJFWSA-N 1 3 374.410 4.405 20 0 FIADHO COc1cc(-c2ccccc2)ccc1CN1CCCC12CC[NH+](C)CC2 ZINC000472615376 1088269602 /nfs/dbraw/zinc/26/96/02/1088269602.db2.gz YHMFYPOMUPQQJI-UHFFFAOYSA-N 1 3 350.506 4.422 20 0 FIADHO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000472615376 1088269617 /nfs/dbraw/zinc/26/96/17/1088269617.db2.gz YHMFYPOMUPQQJI-UHFFFAOYSA-N 1 3 350.506 4.422 20 0 FIADHO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000472615376 1088269633 /nfs/dbraw/zinc/26/96/33/1088269633.db2.gz YHMFYPOMUPQQJI-UHFFFAOYSA-N 1 3 350.506 4.422 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000659284817 1088420730 /nfs/dbraw/zinc/42/07/30/1088420730.db2.gz HQIDJRNTLLIJSR-JTSKRJEESA-N 1 3 363.505 4.092 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000659284817 1088420738 /nfs/dbraw/zinc/42/07/38/1088420738.db2.gz HQIDJRNTLLIJSR-JTSKRJEESA-N 1 3 363.505 4.092 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514025 1088707094 /nfs/dbraw/zinc/70/70/94/1088707094.db2.gz OEUDNMIWEYKUFT-AZUAARDMSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514025 1088707109 /nfs/dbraw/zinc/70/71/09/1088707109.db2.gz OEUDNMIWEYKUFT-AZUAARDMSA-N 1 3 350.506 4.184 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415044166 1089080770 /nfs/dbraw/zinc/08/07/70/1089080770.db2.gz AKLMUWTZMMMUSC-OAQYLSRUSA-N 1 3 368.912 4.404 20 0 FIADHO CCOc1c(Cl)cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1OC ZINC000415049432 1089086589 /nfs/dbraw/zinc/08/65/89/1089086589.db2.gz HFKNCEJIQSLSJR-SFHVURJKSA-N 1 3 362.901 4.317 20 0 FIADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000415120812 1089184724 /nfs/dbraw/zinc/18/47/24/1089184724.db2.gz HBBCEVQHWLLUHT-HNAYVOBHSA-N 1 3 371.352 4.144 20 0 FIADHO COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@]4(CCN(C)C4)C3)cc2)cc1 ZINC000430124688 1089367894 /nfs/dbraw/zinc/36/78/94/1089367894.db2.gz LHQNFQYFTHDNHM-JOCHJYFZSA-N 1 3 352.478 4.015 20 0 FIADHO COc1ccc(Oc2ccc(C[N@H+]3CC[C@@]4(CCN(C)C4)C3)cc2)cc1 ZINC000430124688 1089367924 /nfs/dbraw/zinc/36/79/24/1089367924.db2.gz LHQNFQYFTHDNHM-JOCHJYFZSA-N 1 3 352.478 4.015 20 0 FIADHO C[C@@H](CCNCc1ccccc1-c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000511523970 1089397898 /nfs/dbraw/zinc/39/78/98/1089397898.db2.gz PYTGEKUEAIKOFV-IBGZPJMESA-N 1 3 362.521 4.087 20 0 FIADHO C[C@@H](CCNCc1ccccc1-c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000511523970 1089397915 /nfs/dbraw/zinc/39/79/15/1089397915.db2.gz PYTGEKUEAIKOFV-IBGZPJMESA-N 1 3 362.521 4.087 20 0 FIADHO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000181775875 1090307168 /nfs/dbraw/zinc/30/71/68/1090307168.db2.gz KUTHVMWLNFDBJD-ROUUACIJSA-N 1 3 370.537 4.455 20 0 FIADHO Cc1noc(C2CCC([NH2+]C3CCN(CC4CCCCC4)CC3)CC2)n1 ZINC000378407600 1090348167 /nfs/dbraw/zinc/34/81/67/1090348167.db2.gz YEJROXVHZZCEGQ-UHFFFAOYSA-N 1 3 360.546 4.039 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)ccc1OC ZINC000182629060 1090364365 /nfs/dbraw/zinc/36/43/65/1090364365.db2.gz PBXNCPGHCPGKAN-HRAATJIYSA-N 1 3 374.500 4.060 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccc(C)nc2)ccc1OC ZINC000182946967 1090381971 /nfs/dbraw/zinc/38/19/71/1090381971.db2.gz SIQQZAASTYOBQA-GOSISDBHSA-N 1 3 355.526 4.134 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759982 1090844594 /nfs/dbraw/zinc/84/45/94/1090844594.db2.gz BOMNJVSWNMSBOW-AUSIDOKSSA-N 1 3 370.512 4.200 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759982 1090844601 /nfs/dbraw/zinc/84/46/01/1090844601.db2.gz BOMNJVSWNMSBOW-AUSIDOKSSA-N 1 3 370.512 4.200 20 0 FIADHO CCCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398201906 1091347899 /nfs/dbraw/zinc/34/78/99/1091347899.db2.gz PXNDEWGKKDHYMU-CVDCTZTESA-N 1 3 352.522 4.476 20 0 FIADHO CCCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398201906 1091347908 /nfs/dbraw/zinc/34/79/08/1091347908.db2.gz PXNDEWGKKDHYMU-CVDCTZTESA-N 1 3 352.522 4.476 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464737 1091370514 /nfs/dbraw/zinc/37/05/14/1091370514.db2.gz CYJZDMFTAFOJMX-WMZOPIPTSA-N 1 3 360.448 4.461 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464737 1091370527 /nfs/dbraw/zinc/37/05/27/1091370527.db2.gz CYJZDMFTAFOJMX-WMZOPIPTSA-N 1 3 360.448 4.461 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000512286057 1092009912 /nfs/dbraw/zinc/00/99/12/1092009912.db2.gz ADOCEWMLFDBZRI-ODTAKUCXSA-N 1 3 370.581 4.470 20 0 FIADHO CCCN1CCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000236794754 1092128213 /nfs/dbraw/zinc/12/82/13/1092128213.db2.gz MZLCSZOVSIBGGW-UHFFFAOYSA-N 1 3 356.485 4.369 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000467434797 1092234909 /nfs/dbraw/zinc/23/49/09/1092234909.db2.gz FOOQXPFNLGDBJC-XMSQKQJNSA-N 1 3 354.542 4.257 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000467434797 1092234917 /nfs/dbraw/zinc/23/49/17/1092234917.db2.gz FOOQXPFNLGDBJC-XMSQKQJNSA-N 1 3 354.542 4.257 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(F)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012516 1092341652 /nfs/dbraw/zinc/34/16/52/1092341652.db2.gz BHRVRYRTPBSTCE-WKZKVMAPSA-N 1 3 370.512 4.280 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(COCc2ccco2)c1 ZINC000521025821 1092431766 /nfs/dbraw/zinc/43/17/66/1092431766.db2.gz RREHQHVCPWJFKR-INIZCTEOSA-N 1 3 365.477 4.009 20 0 FIADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000442871016 1092816532 /nfs/dbraw/zinc/81/65/32/1092816532.db2.gz FCTBYWMKVLCBRI-KRWDZBQOSA-N 1 3 358.357 4.060 20 0 FIADHO Cc1ccc(NC(=O)C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCCC2)cc1C ZINC000246242246 1092942552 /nfs/dbraw/zinc/94/25/52/1092942552.db2.gz GICPCLIEOXADKA-FPOVZHCZSA-N 1 3 369.553 4.019 20 0 FIADHO Cc1ccc(NC(=O)C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1C ZINC000246242246 1092942557 /nfs/dbraw/zinc/94/25/57/1092942557.db2.gz GICPCLIEOXADKA-FPOVZHCZSA-N 1 3 369.553 4.019 20 0 FIADHO c1ccc(-c2ccc(CN3CCC(C[NH+]4CCCCCC4)CC3)cn2)nc1 ZINC000644920460 1092978505 /nfs/dbraw/zinc/97/85/05/1092978505.db2.gz OYBOFLYNZHNSAY-UHFFFAOYSA-N 1 3 364.537 4.232 20 0 FIADHO C[C@@H]1CC(NCC[C@H](O)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015830 1093038629 /nfs/dbraw/zinc/03/86/29/1093038629.db2.gz SMWQPCYCNSNXRW-PWHSHALESA-N 1 3 352.522 4.141 20 0 FIADHO O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512653318 1093079822 /nfs/dbraw/zinc/07/98/22/1093079822.db2.gz DOQNHDSYJJHESN-OYTPZHDJSA-N 1 3 370.581 4.208 20 0 FIADHO C[C@@H]1CC([NH2+]C2CCN(C3CCC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168020363 1093214310 /nfs/dbraw/zinc/21/43/10/1093214310.db2.gz MRBJFYRHVJPWEJ-RTBURBONSA-N 1 3 355.570 4.035 20 0 FIADHO CCCc1nc(C)c(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000428283618 1093267247 /nfs/dbraw/zinc/26/72/47/1093267247.db2.gz BBEOLVBUMUHAQK-UHFFFAOYSA-N 1 3 356.514 4.069 20 0 FIADHO CC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C(=O)OC)cc1 ZINC000576408489 1093809271 /nfs/dbraw/zinc/80/92/71/1093809271.db2.gz STXAAQGBAOZRRA-JOCHJYFZSA-N 1 3 366.505 4.310 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000500989284 1094405827 /nfs/dbraw/zinc/40/58/27/1094405827.db2.gz GAFYBEQELXMISF-JOCHJYFZSA-N 1 3 361.549 4.063 20 0 FIADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc2ccccc2c1 ZINC000501092175 1094501065 /nfs/dbraw/zinc/50/10/65/1094501065.db2.gz XREYIOKJILJYEW-UHFFFAOYSA-N 1 3 353.554 4.078 20 0 FIADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc2ccccc2c1 ZINC000501092175 1094501073 /nfs/dbraw/zinc/50/10/73/1094501073.db2.gz XREYIOKJILJYEW-UHFFFAOYSA-N 1 3 353.554 4.078 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501135534 1094523977 /nfs/dbraw/zinc/52/39/77/1094523977.db2.gz PKCQDAPGMWBBOE-QGZVFWFLSA-N 1 3 371.491 4.114 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501135534 1094523983 /nfs/dbraw/zinc/52/39/83/1094523983.db2.gz PKCQDAPGMWBBOE-QGZVFWFLSA-N 1 3 371.491 4.114 20 0 FIADHO [NH3+]CC[C@H]1CCCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315027 1094877198 /nfs/dbraw/zinc/87/71/98/1094877198.db2.gz RKSPEYBYAUNEJJ-VGSWGCGISA-N 1 3 361.489 4.153 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000501982842 1095035030 /nfs/dbraw/zinc/03/50/30/1095035030.db2.gz VYRUBZVJKBXKCM-RBZQAINGSA-N 1 3 369.597 4.061 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000501982842 1095035044 /nfs/dbraw/zinc/03/50/44/1095035044.db2.gz VYRUBZVJKBXKCM-RBZQAINGSA-N 1 3 369.597 4.061 20 0 FIADHO CCCc1nc(C)c(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000428307262 1095040405 /nfs/dbraw/zinc/04/04/05/1095040405.db2.gz UAJVBMCLQNBFLS-UHFFFAOYSA-N 1 3 367.537 4.424 20 0 FIADHO CCCc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000428307262 1095040421 /nfs/dbraw/zinc/04/04/21/1095040421.db2.gz UAJVBMCLQNBFLS-UHFFFAOYSA-N 1 3 367.537 4.424 20 0 FIADHO COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1OC ZINC000502269721 1095286532 /nfs/dbraw/zinc/28/65/32/1095286532.db2.gz PMYMNMGSUUNNFZ-GOSISDBHSA-N 1 3 374.569 4.187 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000502880586 1095917482 /nfs/dbraw/zinc/91/74/82/1095917482.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000502880586 1095917484 /nfs/dbraw/zinc/91/74/84/1095917484.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502880586 1095917485 /nfs/dbraw/zinc/91/74/85/1095917485.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000502880586 1095917495 /nfs/dbraw/zinc/91/74/95/1095917495.db2.gz QGNXQXUKYHZHSL-QFBILLFUSA-N 1 3 350.934 4.087 20 0 FIADHO c1ccc(CCCOc2cccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000422710051 1096459476 /nfs/dbraw/zinc/45/94/76/1096459476.db2.gz KTLDBAYWHXUEOY-AIZNXBIQSA-N 1 3 364.533 4.113 20 0 FIADHO CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OCC ZINC000422760528 1096476405 /nfs/dbraw/zinc/47/64/05/1096476405.db2.gz QFWJWPYTLKBJCI-GJZGRUSLSA-N 1 3 357.498 4.058 20 0 FIADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000422807140 1096495811 /nfs/dbraw/zinc/49/58/11/1096495811.db2.gz OMACGXJWFKTIBW-XQAUZQBESA-N 1 3 374.431 4.195 20 0 FIADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 ZINC000422938196 1096530630 /nfs/dbraw/zinc/53/06/30/1096530630.db2.gz GVSDTUOVZVXIBR-VQTJNVASSA-N 1 3 356.897 4.123 20 0 FIADHO Cc1ccc(COc2ccc(C[C@H](C)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000422939500 1096530763 /nfs/dbraw/zinc/53/07/63/1096530763.db2.gz FWXDNNBKCUTWTE-QUFMSWDXSA-N 1 3 364.533 4.378 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939102 1096530819 /nfs/dbraw/zinc/53/08/19/1096530819.db2.gz QTBNDHFNPRCTEP-QGZVFWFLSA-N 1 3 361.489 4.245 20 0 FIADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422996184 1096552856 /nfs/dbraw/zinc/55/28/56/1096552856.db2.gz LFCSECNWNIJUSM-NQSCKRDGSA-N 1 3 353.510 4.198 20 0 FIADHO [NH3+]C1CCC(N[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000423230809 1096624346 /nfs/dbraw/zinc/62/43/46/1096624346.db2.gz KFBZSAHXLNZXSA-MQBCKMQZSA-N 1 3 367.262 4.130 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000423290669 1096634949 /nfs/dbraw/zinc/63/49/49/1096634949.db2.gz DZHXIHVMAVMLGV-RYUDHWBXSA-N 1 3 351.263 4.459 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCc3cc(N)ccc32)CC1 ZINC000423354096 1096653919 /nfs/dbraw/zinc/65/39/19/1096653919.db2.gz CMYVVCQSTDWWMF-KOSHJBKYSA-N 1 3 363.549 4.331 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc3c(c2)C[NH2+]C3)c2cccc(Br)c21 ZINC000423369510 1096658209 /nfs/dbraw/zinc/65/82/09/1096658209.db2.gz DYSFCENHFBQTID-SGTLLEGYSA-N 1 3 357.295 4.390 20 0 FIADHO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414739239 1096668403 /nfs/dbraw/zinc/66/84/03/1096668403.db2.gz PXUZRDQLVRJUMJ-UONOGXRCSA-N 1 3 372.340 4.032 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423399899 1096668646 /nfs/dbraw/zinc/66/86/46/1096668646.db2.gz VFVSHEBUABIXQD-MRXNPFEDSA-N 1 3 366.509 4.014 20 0 FIADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423475045 1096695331 /nfs/dbraw/zinc/69/53/31/1096695331.db2.gz PSCKDMLQYJBKRQ-FDQGKXFDSA-N 1 3 363.299 4.239 20 0 FIADHO COc1ccc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423506808 1096702543 /nfs/dbraw/zinc/70/25/43/1096702543.db2.gz MILDHHBXNBGRDZ-ZJTDPSCFSA-N 1 3 374.912 4.164 20 0 FIADHO c1csc(C[N@H+]2CCC[C@H](CNCc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275637 1098901605 /nfs/dbraw/zinc/90/16/05/1098901605.db2.gz PHTJUNMVTQKCAA-OAHLLOKOSA-N 1 3 372.563 4.202 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@H](CNCc3c[nH]nc3-c3ccsc3)C2)c1 ZINC000436275637 1098901609 /nfs/dbraw/zinc/90/16/09/1098901609.db2.gz PHTJUNMVTQKCAA-OAHLLOKOSA-N 1 3 372.563 4.202 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301833 1098915816 /nfs/dbraw/zinc/91/58/16/1098915816.db2.gz OTIHAPJGTIOWBH-IIBYNOLFSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301833 1098915821 /nfs/dbraw/zinc/91/58/21/1098915821.db2.gz OTIHAPJGTIOWBH-IIBYNOLFSA-N 1 3 351.469 4.307 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000161782269 1099536827 /nfs/dbraw/zinc/53/68/27/1099536827.db2.gz ULNOEQWMOQIRFB-INIZCTEOSA-N 1 3 358.555 4.286 20 0 FIADHO CC(C)c1nc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000508693237 1099827137 /nfs/dbraw/zinc/82/71/37/1099827137.db2.gz CPNJAKCBBLYOLJ-HKUYNNGSSA-N 1 3 357.567 4.309 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1C(F)(F)F ZINC000162567510 1099876286 /nfs/dbraw/zinc/87/62/86/1099876286.db2.gz IQJDVQPZPITDGQ-HNNXBMFYSA-N 1 3 366.427 4.497 20 0 FIADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162743738 1099980741 /nfs/dbraw/zinc/98/07/41/1099980741.db2.gz BDUBKGOJOWQYAI-QGZVFWFLSA-N 1 3 365.521 4.089 20 0 FIADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000162743738 1099980744 /nfs/dbraw/zinc/98/07/44/1099980744.db2.gz BDUBKGOJOWQYAI-QGZVFWFLSA-N 1 3 365.521 4.089 20 0 FIADHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000536675586 1100164609 /nfs/dbraw/zinc/16/46/09/1100164609.db2.gz YMJNFDJIBOMHSC-UHFFFAOYSA-N 1 3 362.901 4.143 20 0 FIADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459437970 1100193154 /nfs/dbraw/zinc/19/31/54/1100193154.db2.gz ZTYHTPVGJWIEHD-GFOJFJKKSA-N 1 3 362.583 4.035 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2cccs2)C2CCCC2)C[C@@H](C)O1 ZINC000536857270 1100373947 /nfs/dbraw/zinc/37/39/47/1100373947.db2.gz KRFVCJUJJSJAEA-MBOZVWFJSA-N 1 3 350.572 4.458 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000414921847 1100417005 /nfs/dbraw/zinc/41/70/05/1100417005.db2.gz FAJSFYGOSPRUCQ-GMHONNGPSA-N 1 3 361.533 4.146 20 0 FIADHO CC[NH+]1CCC(N[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426285909 1101181913 /nfs/dbraw/zinc/18/19/13/1101181913.db2.gz DMMVXMOXMLBLCB-KRWDZBQOSA-N 1 3 351.332 4.146 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426324062 1101271918 /nfs/dbraw/zinc/27/19/18/1101271918.db2.gz OYWOICCTJGIATH-QGZVFWFLSA-N 1 3 351.332 4.146 20 0 FIADHO CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909364 1101335403 /nfs/dbraw/zinc/33/54/03/1101335403.db2.gz LKYRQEVSIGAFSE-ZMSDIMECSA-N 1 3 358.448 4.183 20 0 FIADHO CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909364 1101335416 /nfs/dbraw/zinc/33/54/16/1101335416.db2.gz LKYRQEVSIGAFSE-ZMSDIMECSA-N 1 3 358.448 4.183 20 0 FIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024563 1101402967 /nfs/dbraw/zinc/40/29/67/1101402967.db2.gz PVUUPHVVHNLJAW-NQIIRXRSSA-N 1 3 353.510 4.186 20 0 FIADHO C[C@H]1CCC[N@H+](CCCCNCc2cc(Br)ccc2F)C1 ZINC000518763532 1101519307 /nfs/dbraw/zinc/51/93/07/1101519307.db2.gz UCCIDDZCUXABLI-AWEZNQCLSA-N 1 3 357.311 4.190 20 0 FIADHO C[C@H]1CCC[N@@H+](CCCCNCc2cc(Br)ccc2F)C1 ZINC000518763532 1101519321 /nfs/dbraw/zinc/51/93/21/1101519321.db2.gz UCCIDDZCUXABLI-AWEZNQCLSA-N 1 3 357.311 4.190 20 0 FIADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537190273 1101523832 /nfs/dbraw/zinc/52/38/32/1101523832.db2.gz YVYNWLTWZUIEAF-ODOSVJCGSA-N 1 3 362.517 4.498 20 0 FIADHO c1csc(C[N@H+]2CCC[C@H](CNCC3=Cc4ccccc4OC3)C2)c1 ZINC000102425692 1101526741 /nfs/dbraw/zinc/52/67/41/1101526741.db2.gz SIKYQTXIJVMJGA-QGZVFWFLSA-N 1 3 354.519 4.026 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@H](CNCC3=Cc4ccccc4OC3)C2)c1 ZINC000102425692 1101526754 /nfs/dbraw/zinc/52/67/54/1101526754.db2.gz SIKYQTXIJVMJGA-QGZVFWFLSA-N 1 3 354.519 4.026 20 0 FIADHO C[NH+](C)CCOc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccn1 ZINC000537308121 1101632666 /nfs/dbraw/zinc/63/26/66/1101632666.db2.gz QWFSBAXIAZHSQY-NRFANRHFSA-N 1 3 353.510 4.043 20 0 FIADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183381 1102084787 /nfs/dbraw/zinc/08/47/87/1102084787.db2.gz PYWVTJBANDYGPH-RXVVDRJESA-N 1 3 364.961 4.094 20 0 FIADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183381 1102084800 /nfs/dbraw/zinc/08/48/00/1102084800.db2.gz PYWVTJBANDYGPH-RXVVDRJESA-N 1 3 364.961 4.094 20 0 FIADHO Cc1ccc2c(ccc(C)c2CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC001168284805 1102158959 /nfs/dbraw/zinc/15/89/59/1102158959.db2.gz NUGWBBOJSAKTFP-WTIAFYNJSA-N 1 3 352.522 4.140 20 0 FIADHO Cc1ccc2c(ccc(C)c2CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC001168284801 1102159377 /nfs/dbraw/zinc/15/93/77/1102159377.db2.gz NUGWBBOJSAKTFP-AJSBUHFISA-N 1 3 352.522 4.140 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000415012837 1102248147 /nfs/dbraw/zinc/24/81/47/1102248147.db2.gz XRYDZVWRFGZCPO-LMSBXDPUSA-N 1 3 358.423 4.230 20 0 FIADHO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000537631298 1102250457 /nfs/dbraw/zinc/25/04/57/1102250457.db2.gz KOSHPAAEAXVNTE-QHCPKHFHSA-N 1 3 366.553 4.195 20 0 FIADHO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000537631298 1102250470 /nfs/dbraw/zinc/25/04/70/1102250470.db2.gz KOSHPAAEAXVNTE-QHCPKHFHSA-N 1 3 366.553 4.195 20 0 FIADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2cccc(Br)c2)n1 ZINC000415020367 1102264264 /nfs/dbraw/zinc/26/42/64/1102264264.db2.gz XIUJSLYJTXACJW-LBPRGKRZSA-N 1 3 368.344 4.180 20 0 FIADHO Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783431 1102295620 /nfs/dbraw/zinc/29/56/20/1102295620.db2.gz ZXDJQUTWBRFZLD-FCHUYYIVSA-N 1 3 360.505 4.012 20 0 FIADHO Cn1cc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783431 1102295627 /nfs/dbraw/zinc/29/56/27/1102295627.db2.gz ZXDJQUTWBRFZLD-FCHUYYIVSA-N 1 3 360.505 4.012 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(CO)c1 ZINC000121229853 1102348516 /nfs/dbraw/zinc/34/85/16/1102348516.db2.gz OGMAVMJMVSIKEC-OALUTQOASA-N 1 3 352.522 4.404 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(CO)c1 ZINC000121229853 1102348530 /nfs/dbraw/zinc/34/85/30/1102348530.db2.gz OGMAVMJMVSIKEC-OALUTQOASA-N 1 3 352.522 4.404 20 0 FIADHO c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969250 1102364926 /nfs/dbraw/zinc/36/49/26/1102364926.db2.gz AVFGZPBVHHZWGC-GLCCWIKHSA-N 1 3 354.538 4.149 20 0 FIADHO c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969250 1102364939 /nfs/dbraw/zinc/36/49/39/1102364939.db2.gz AVFGZPBVHHZWGC-GLCCWIKHSA-N 1 3 354.538 4.149 20 0 FIADHO CC(C)c1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000532462202 1102369201 /nfs/dbraw/zinc/36/92/01/1102369201.db2.gz FYCKHHZGGCHRLC-KRWDZBQOSA-N 1 3 357.542 4.134 20 0 FIADHO C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cccc(CO)c1 ZINC000121698305 1102439371 /nfs/dbraw/zinc/43/93/71/1102439371.db2.gz KGAMSQXMLXWOJN-IBGZPJMESA-N 1 3 352.522 4.262 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122293828 1102547491 /nfs/dbraw/zinc/54/74/91/1102547491.db2.gz DGZZGWVGZKJYJG-BEVDRBHNSA-N 1 3 354.485 4.143 20 0 FIADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000550861100 1102644533 /nfs/dbraw/zinc/64/45/33/1102644533.db2.gz WETNHCIGGUAJLC-BHIFYINESA-N 1 3 356.554 4.084 20 0 FIADHO CC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550271477 1102905908 /nfs/dbraw/zinc/90/59/08/1102905908.db2.gz SYAKOCGNLJJOOD-IRQNMHNUSA-N 1 3 356.554 4.084 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000536626285 1102933186 /nfs/dbraw/zinc/93/31/86/1102933186.db2.gz WUPLGZZKPAXHPY-DOXZYTNZSA-N 1 3 356.913 4.267 20 0 FIADHO O=C(c1ccc(F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167984369 1103037219 /nfs/dbraw/zinc/03/72/19/1103037219.db2.gz NSWYESBMPAZWLP-CBQGHPETSA-N 1 3 370.512 4.126 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccncc1F ZINC000551286839 1103046040 /nfs/dbraw/zinc/04/60/40/1103046040.db2.gz MXGZFHFJDWYGBS-INIZCTEOSA-N 1 3 353.441 4.297 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncc1F ZINC000551286839 1103046058 /nfs/dbraw/zinc/04/60/58/1103046058.db2.gz MXGZFHFJDWYGBS-INIZCTEOSA-N 1 3 353.441 4.297 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccncc1F ZINC000551286840 1103046175 /nfs/dbraw/zinc/04/61/75/1103046175.db2.gz MXGZFHFJDWYGBS-MRXNPFEDSA-N 1 3 353.441 4.297 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccncc1F ZINC000551286840 1103046194 /nfs/dbraw/zinc/04/61/94/1103046194.db2.gz MXGZFHFJDWYGBS-MRXNPFEDSA-N 1 3 353.441 4.297 20 0 FIADHO Cc1noc(C)c1C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245652433 1103310735 /nfs/dbraw/zinc/31/07/35/1103310735.db2.gz CSYDHKLPYCEYCN-HUJKARHJSA-N 1 3 353.510 4.008 20 0 FIADHO Cc1noc(C)c1C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652433 1103310752 /nfs/dbraw/zinc/31/07/52/1103310752.db2.gz CSYDHKLPYCEYCN-HUJKARHJSA-N 1 3 353.510 4.008 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000507484028 1103431611 /nfs/dbraw/zinc/43/16/11/1103431611.db2.gz IRXKAQYCTOCPCH-BVAFDOMYSA-N 1 3 356.554 4.080 20 0 FIADHO COC[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000538206178 1104047757 /nfs/dbraw/zinc/04/77/57/1104047757.db2.gz GZSSZVKAYYMOIN-YRNRMSPPSA-N 1 3 354.485 4.000 20 0 FIADHO COC[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000538206178 1104047769 /nfs/dbraw/zinc/04/77/69/1104047769.db2.gz GZSSZVKAYYMOIN-YRNRMSPPSA-N 1 3 354.485 4.000 20 0 FIADHO Fc1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167995127 1104486501 /nfs/dbraw/zinc/48/65/01/1104486501.db2.gz XDHKHRWCWVAYTK-AIZNXBIQSA-N 1 3 356.529 4.486 20 0 FIADHO COc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001168001390 1104927208 /nfs/dbraw/zinc/92/72/08/1104927208.db2.gz BHVKLGXXOBDPPE-CBQGHPETSA-N 1 3 354.538 4.280 20 0 FIADHO COc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168001390 1104927209 /nfs/dbraw/zinc/92/72/09/1104927209.db2.gz BHVKLGXXOBDPPE-CBQGHPETSA-N 1 3 354.538 4.280 20 0 FIADHO COc1cccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001168001390 1104927213 /nfs/dbraw/zinc/92/72/13/1104927213.db2.gz BHVKLGXXOBDPPE-CBQGHPETSA-N 1 3 354.538 4.280 20 0 FIADHO COc1ccc(C[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168004224 1105028353 /nfs/dbraw/zinc/02/83/53/1105028353.db2.gz RRGSYKYVSLLVTF-SSWODZADSA-N 1 3 368.565 4.355 20 0 FIADHO COc1ccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168004224 1105028358 /nfs/dbraw/zinc/02/83/58/1105028358.db2.gz RRGSYKYVSLLVTF-SSWODZADSA-N 1 3 368.565 4.355 20 0 FIADHO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152415469 1105105347 /nfs/dbraw/zinc/10/53/47/1105105347.db2.gz UUNSJICMJIERPT-LRDDRELGSA-N 1 3 355.309 4.281 20 0 FIADHO c1cn2c(n1)[C@@H](NCCCC[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000655711430 1106823662 /nfs/dbraw/zinc/82/36/62/1106823662.db2.gz JDCUQDPRZFMZAW-QFIPXVFZSA-N 1 3 366.553 4.043 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000301467722 1107039503 /nfs/dbraw/zinc/03/95/03/1107039503.db2.gz QWWDEIMHRLLRBA-INIZCTEOSA-N 1 3 372.310 4.065 20 0 FIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152444151 1107652081 /nfs/dbraw/zinc/65/20/81/1107652081.db2.gz LYQDGBCZYMSWEW-YJBOKZPZSA-N 1 3 355.551 4.177 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054943 1108131762 /nfs/dbraw/zinc/13/17/62/1108131762.db2.gz CYFVFIVZJYFFJE-MOPGFXCFSA-N 1 3 354.542 4.250 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ncc(-c2ccccc2)n1C ZINC000453054943 1108131771 /nfs/dbraw/zinc/13/17/71/1108131771.db2.gz CYFVFIVZJYFFJE-MOPGFXCFSA-N 1 3 354.542 4.250 20 0 FIADHO CCC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213538 1108284585 /nfs/dbraw/zinc/28/45/85/1108284585.db2.gz APFMPANFOGJRHN-DHIUTWEWSA-N 1 3 370.581 4.474 20 0 FIADHO CO[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289294 1108364625 /nfs/dbraw/zinc/36/46/25/1108364625.db2.gz LXRNINSGGLVCAE-XQUALCHDSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289294 1108364640 /nfs/dbraw/zinc/36/46/40/1108364640.db2.gz LXRNINSGGLVCAE-XQUALCHDSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289291 1108365149 /nfs/dbraw/zinc/36/51/49/1108365149.db2.gz LXRNINSGGLVCAE-UEQSERJNSA-N 1 3 364.533 4.029 20 0 FIADHO CO[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000453289291 1108365165 /nfs/dbraw/zinc/36/51/65/1108365165.db2.gz LXRNINSGGLVCAE-UEQSERJNSA-N 1 3 364.533 4.029 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225248 1108723477 /nfs/dbraw/zinc/72/34/77/1108723477.db2.gz FNIJCKKMCYYFQK-PKOBYXMFSA-N 1 3 356.485 4.397 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225248 1108723481 /nfs/dbraw/zinc/72/34/81/1108723481.db2.gz FNIJCKKMCYYFQK-PKOBYXMFSA-N 1 3 356.485 4.397 20 0 FIADHO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000524842189 1109176714 /nfs/dbraw/zinc/17/67/14/1109176714.db2.gz YDJRTFWBEWWFJP-HNNXBMFYSA-N 1 3 361.436 4.209 20 0 FIADHO Clc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000446888177 1109383513 /nfs/dbraw/zinc/38/35/13/1109383513.db2.gz DUBVZNZOADCOHJ-UHFFFAOYSA-N 1 3 357.723 4.067 20 0 FIADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428463717 1109407251 /nfs/dbraw/zinc/40/72/51/1109407251.db2.gz PTQNLNLZXMGBPV-JKLQHZFJSA-N 1 3 358.570 4.064 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCOC2)cc1CN1CCCCC1 ZINC000527933524 1109870438 /nfs/dbraw/zinc/87/04/38/1109870438.db2.gz VMAZYFUVVTWXTR-RBUKOAKNSA-N 1 3 360.542 4.148 20 0 FIADHO CC(C)Oc1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449082256 1109974809 /nfs/dbraw/zinc/97/48/09/1109974809.db2.gz LWULMNILMPENIN-LJQANCHMSA-N 1 3 367.537 4.054 20 0 FIADHO CC(C)c1nc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cs1 ZINC000449113623 1109983820 /nfs/dbraw/zinc/98/38/20/1109983820.db2.gz WPPKUTSKYIXURQ-GOSISDBHSA-N 1 3 371.594 4.494 20 0 FIADHO CCCCn1cc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)c(C)n1 ZINC000449210623 1109996569 /nfs/dbraw/zinc/99/65/69/1109996569.db2.gz WOCQLSXKZWQNOB-LJQANCHMSA-N 1 3 368.569 4.177 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000449316964 1110031301 /nfs/dbraw/zinc/03/13/01/1110031301.db2.gz APKUFBXLNGLNQG-ROUUACIJSA-N 1 3 362.521 4.309 20 0 FIADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343237 1110034533 /nfs/dbraw/zinc/03/45/33/1110034533.db2.gz IXGLJMWFHLZNFB-GOTSBHOMSA-N 1 3 370.581 4.474 20 0 FIADHO CC(C)[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000539199810 1111468771 /nfs/dbraw/zinc/46/87/71/1111468771.db2.gz LUHYCAROHYTFAJ-QFIPXVFZSA-N 1 3 353.510 4.043 20 0 FIADHO CC(C)[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000539199809 1111468787 /nfs/dbraw/zinc/46/87/87/1111468787.db2.gz LUHYCAROHYTFAJ-JOCHJYFZSA-N 1 3 353.510 4.043 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CCc3ccccc31)c1ccccc1O2 ZINC000539396679 1111552813 /nfs/dbraw/zinc/55/28/13/1111552813.db2.gz MLBCNNOPGHAKSZ-SIKLNZKXSA-N 1 3 362.517 4.294 20 0 FIADHO COc1ccc(-c2csc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)c2)cc1 ZINC000552047584 1111556864 /nfs/dbraw/zinc/55/68/64/1111556864.db2.gz RFENYWWNEVJWJT-PWRODBHTSA-N 1 3 356.535 4.386 20 0 FIADHO CC(C)N1CCC([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000552085809 1111578602 /nfs/dbraw/zinc/57/86/02/1111578602.db2.gz NDPKMURICVKICG-HXUWFJFHSA-N 1 3 350.934 4.270 20 0 FIADHO CC(C)N1CCC([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000552085808 1111578937 /nfs/dbraw/zinc/57/89/37/1111578937.db2.gz NDPKMURICVKICG-FQEVSTJZSA-N 1 3 350.934 4.270 20 0 FIADHO CSCc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000552100521 1111585911 /nfs/dbraw/zinc/58/59/11/1111585911.db2.gz LFKDFFFHHVMVHS-UHFFFAOYSA-N 1 3 372.553 4.485 20 0 FIADHO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000479381489 1112005139 /nfs/dbraw/zinc/00/51/39/1112005139.db2.gz BAUIEMNXWLCHKV-OAQYLSRUSA-N 1 3 355.526 4.213 20 0 FIADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000479853710 1112162557 /nfs/dbraw/zinc/16/25/57/1112162557.db2.gz RFBBCNBAMLJAFB-CQSZACIVSA-N 1 3 357.361 4.163 20 0 FIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000480426794 1112423063 /nfs/dbraw/zinc/42/30/63/1112423063.db2.gz ODDZCGDEJCMWEX-QHCPKHFHSA-N 1 3 350.506 4.458 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635488 1112523381 /nfs/dbraw/zinc/52/33/81/1112523381.db2.gz AIJMLZTYJKSCJK-ZWKOTPCHSA-N 1 3 366.505 4.498 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635488 1112523383 /nfs/dbraw/zinc/52/33/83/1112523383.db2.gz AIJMLZTYJKSCJK-ZWKOTPCHSA-N 1 3 366.505 4.498 20 0 FIADHO Cc1ccncc1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000554858679 1112533446 /nfs/dbraw/zinc/53/34/46/1112533446.db2.gz UDBLIZNJJBUCAE-DNQXCXABSA-N 1 3 363.549 4.309 20 0 FIADHO Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000554858679 1112533451 /nfs/dbraw/zinc/53/34/51/1112533451.db2.gz UDBLIZNJJBUCAE-DNQXCXABSA-N 1 3 363.549 4.309 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000480714985 1112566820 /nfs/dbraw/zinc/56/68/20/1112566820.db2.gz RMEUQMSSNWDTGN-JOCHJYFZSA-N 1 3 356.485 4.323 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000480769624 1112587707 /nfs/dbraw/zinc/58/77/07/1112587707.db2.gz IUXATHAITYZXSU-FQEVSTJZSA-N 1 3 367.537 4.157 20 0 FIADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC000480923476 1112676161 /nfs/dbraw/zinc/67/61/61/1112676161.db2.gz ZXSZTMVPPVSPGM-QFIPXVFZSA-N 1 3 371.956 4.328 20 0 FIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000481651074 1113011865 /nfs/dbraw/zinc/01/18/65/1113011865.db2.gz CUUKVQZVYMEAGN-BRWVUGGUSA-N 1 3 372.475 4.115 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000486080698 1113500488 /nfs/dbraw/zinc/50/04/88/1113500488.db2.gz LEVPPLUHSVUNRA-NEWSRXKRSA-N 1 3 372.475 4.059 20 0 FIADHO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486489870 1113577579 /nfs/dbraw/zinc/57/75/79/1113577579.db2.gz PFPCJMJRTUMCPP-WMZHIEFXSA-N 1 3 374.532 4.087 20 0 FIADHO C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486489870 1113577581 /nfs/dbraw/zinc/57/75/81/1113577581.db2.gz PFPCJMJRTUMCPP-WMZHIEFXSA-N 1 3 374.532 4.087 20 0 FIADHO C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489870 1113577584 /nfs/dbraw/zinc/57/75/84/1113577584.db2.gz PFPCJMJRTUMCPP-WMZHIEFXSA-N 1 3 374.532 4.087 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486535281 1113591574 /nfs/dbraw/zinc/59/15/74/1113591574.db2.gz JBOBSMPTCQVGHJ-FXAWDEMLSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]C(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000490119565 1114220206 /nfs/dbraw/zinc/22/02/06/1114220206.db2.gz PPKATMZVIMIVIF-WOJBJXKFSA-N 1 3 352.522 4.255 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588708661 1114601329 /nfs/dbraw/zinc/60/13/29/1114601329.db2.gz BLTINWDAFLDWIS-IYBDPMFKSA-N 1 3 370.459 4.027 20 0 FIADHO CC1CC[NH+](CCCCNCc2cc(Br)ccc2F)CC1 ZINC000589837009 1114847286 /nfs/dbraw/zinc/84/72/86/1114847286.db2.gz VOIUBEYCDDBMQT-UHFFFAOYSA-N 1 3 357.311 4.190 20 0 FIADHO COc1cccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000669683863 1115782736 /nfs/dbraw/zinc/78/27/36/1115782736.db2.gz YTDFSULSLHMRBH-MJGOQNOKSA-N 1 3 356.485 4.225 20 0 FIADHO COc1cccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683863 1115782737 /nfs/dbraw/zinc/78/27/37/1115782737.db2.gz YTDFSULSLHMRBH-MJGOQNOKSA-N 1 3 356.485 4.225 20 0 FIADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416404 1115854324 /nfs/dbraw/zinc/85/43/24/1115854324.db2.gz XTNUGXBSJNNDIY-HXUWFJFHSA-N 1 3 372.915 4.372 20 0 FIADHO Cn1nc(CNCc2ccccc2C[N@H+](C)Cc2ccco2)c2ccccc21 ZINC000608058608 1116082420 /nfs/dbraw/zinc/08/24/20/1116082420.db2.gz MLNYHXPJASIXOX-UHFFFAOYSA-N 1 3 374.488 4.088 20 0 FIADHO Cn1nc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)c2ccccc21 ZINC000608058608 1116082422 /nfs/dbraw/zinc/08/24/22/1116082422.db2.gz MLNYHXPJASIXOX-UHFFFAOYSA-N 1 3 374.488 4.088 20 0 FIADHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000535230314 1116283275 /nfs/dbraw/zinc/28/32/75/1116283275.db2.gz RAIXMFMWPZLXTL-LJQANCHMSA-N 1 3 372.384 4.452 20 0 FIADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000462747962 1117750464 /nfs/dbraw/zinc/75/04/64/1117750464.db2.gz YTABBXQJDNXHSN-HXUWFJFHSA-N 1 3 357.586 4.141 20 0 FIADHO Oc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887421 1117828468 /nfs/dbraw/zinc/82/84/68/1117828468.db2.gz JMABKFIZQDTIGG-IIBYNOLFSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887421 1117828477 /nfs/dbraw/zinc/82/84/77/1117828477.db2.gz JMABKFIZQDTIGG-IIBYNOLFSA-N 1 3 356.535 4.333 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CCN1Cc1ccccc1 ZINC000540145517 1117897193 /nfs/dbraw/zinc/89/71/93/1117897193.db2.gz SGGHMVQSKHDHFR-UYAOXDASSA-N 1 3 367.537 4.402 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000540189334 1117921282 /nfs/dbraw/zinc/92/12/82/1117921282.db2.gz AUNCOPTVAXCOBO-QGZVFWFLSA-N 1 3 356.432 4.425 20 0 FIADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463145409 1117982375 /nfs/dbraw/zinc/98/23/75/1117982375.db2.gz YGOMXRJBCSZDDK-GOSISDBHSA-N 1 3 363.977 4.159 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140395 1117987568 /nfs/dbraw/zinc/98/75/68/1117987568.db2.gz GYDWOYMLYLLRTL-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140395 1117987572 /nfs/dbraw/zinc/98/75/72/1117987572.db2.gz GYDWOYMLYLLRTL-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCC4CCOCC4)[C@H]3C2)cc1 ZINC000463238334 1118046133 /nfs/dbraw/zinc/04/61/33/1118046133.db2.gz UJWRSKTVNQJGSC-VABKMULXSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCC4CCOCC4)[C@H]3C2)cc1 ZINC000463238333 1118046207 /nfs/dbraw/zinc/04/62/07/1118046207.db2.gz UJWRSKTVNQJGSC-RJGXRXQPSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@@H](CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000463264425 1118059064 /nfs/dbraw/zinc/05/90/64/1118059064.db2.gz GDJABVTZEZQUDE-SFHVURJKSA-N 1 3 363.977 4.159 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1O2 ZINC000540461859 1118067176 /nfs/dbraw/zinc/06/71/76/1118067176.db2.gz CEXUPFVOWLVBAZ-FQEVSTJZSA-N 1 3 372.459 4.085 20 0 FIADHO C[C@@H](CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000463274582 1118074442 /nfs/dbraw/zinc/07/44/42/1118074442.db2.gz RHZFWEYHZGWREP-SFHVURJKSA-N 1 3 363.977 4.159 20 0 FIADHO CCC1(CC)[C@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@H]1OC ZINC000540494191 1118091669 /nfs/dbraw/zinc/09/16/69/1118091669.db2.gz XJIGVLLMYXPFDA-CEWLAPEOSA-N 1 3 372.553 4.158 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1O2 ZINC000540494470 1118092197 /nfs/dbraw/zinc/09/21/97/1118092197.db2.gz BJBOVKLIJHTSSG-LJQANCHMSA-N 1 3 372.459 4.085 20 0 FIADHO C[C@H]1CCC[N@H+](CCCCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546618 1118550914 /nfs/dbraw/zinc/55/09/14/1118550914.db2.gz FZFGZLBISVOCJG-PGRDOPGGSA-N 1 3 355.501 4.412 20 0 FIADHO C[C@H]1CCC[N@@H+](CCCCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546618 1118550915 /nfs/dbraw/zinc/55/09/15/1118550915.db2.gz FZFGZLBISVOCJG-PGRDOPGGSA-N 1 3 355.501 4.412 20 0 FIADHO CC[N@H+](C)C[C@H]1CCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695342 /nfs/dbraw/zinc/69/53/42/1118695342.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CC[N@@H+](C)C[C@H]1CCN(CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695346 /nfs/dbraw/zinc/69/53/46/1118695346.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CCN(C)C[C@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695348 /nfs/dbraw/zinc/69/53/48/1118695348.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CCN(C)C[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000464787612 1118695352 /nfs/dbraw/zinc/69/53/52/1118695352.db2.gz CPDWSPWCHCSPLY-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000173335242 1119033985 /nfs/dbraw/zinc/03/39/85/1119033985.db2.gz PCALBCSSHJNPGJ-GOSISDBHSA-N 1 3 369.578 4.007 20 0 FIADHO C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178281198 1119382167 /nfs/dbraw/zinc/38/21/67/1119382167.db2.gz OGIYYMSMRBPDJO-HNNXBMFYSA-N 1 3 364.436 4.079 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000311817347 1119390664 /nfs/dbraw/zinc/39/06/64/1119390664.db2.gz PSSUEVXMTNUIIS-SJLPKXTDSA-N 1 3 360.448 4.461 20 0 FIADHO C[C@@H](O)[C@@](C)(CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000188917587 1119806110 /nfs/dbraw/zinc/80/61/10/1119806110.db2.gz BKGZANILNHFYET-AUSIDOKSSA-N 1 3 358.570 4.003 20 0 FIADHO CC1CC[NH+](C2CCC(NCc3nccn3-c3ccccc3)CC2)CC1 ZINC000191470805 1119978749 /nfs/dbraw/zinc/97/87/49/1119978749.db2.gz OIVCMQRHMQLZSQ-UHFFFAOYSA-N 1 3 352.526 4.005 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1Cl ZINC000192788086 1120083465 /nfs/dbraw/zinc/08/34/65/1120083465.db2.gz IWAUUDVFSRHCTL-HXUWFJFHSA-N 1 3 351.966 4.043 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192787724 1120083613 /nfs/dbraw/zinc/08/36/13/1120083613.db2.gz NDGCGIJJQSCITA-LJQANCHMSA-N 1 3 363.615 4.254 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136410 1120120091 /nfs/dbraw/zinc/12/00/91/1120120091.db2.gz SVKGHSHVDXGSST-OFNKIYASSA-N 1 3 374.532 4.104 20 0 FIADHO CCCN1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000193989962 1120226230 /nfs/dbraw/zinc/22/62/30/1120226230.db2.gz ATPIIAJYWZUOLH-MXWWQKGMSA-N 1 3 351.332 4.017 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000494925215 1120381935 /nfs/dbraw/zinc/38/19/35/1120381935.db2.gz XBFSSUXTSOHFOS-GOSISDBHSA-N 1 3 367.537 4.081 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495380981 1120768177 /nfs/dbraw/zinc/76/81/77/1120768177.db2.gz TXVRJVQADCGNPC-JUXOCIIHSA-N 1 3 350.506 4.183 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380981 1120768181 /nfs/dbraw/zinc/76/81/81/1120768181.db2.gz TXVRJVQADCGNPC-JUXOCIIHSA-N 1 3 350.506 4.183 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762738594 1120956854 /nfs/dbraw/zinc/95/68/54/1120956854.db2.gz UWSCJGLFGBPKQJ-ZIAGYGMSSA-N 1 3 372.326 4.146 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762738594 1120956855 /nfs/dbraw/zinc/95/68/55/1120956855.db2.gz UWSCJGLFGBPKQJ-ZIAGYGMSSA-N 1 3 372.326 4.146 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3c(C)cc(C)cc3C)cc2)CC1 ZINC000061070154 1121506736 /nfs/dbraw/zinc/50/67/36/1121506736.db2.gz NJWJDNJEOCIMNA-UHFFFAOYSA-N 1 3 365.565 4.039 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Br)s1 ZINC000123617917 1121619476 /nfs/dbraw/zinc/61/94/76/1121619476.db2.gz UVGFHLXPESGIBS-GFCCVEGCSA-N 1 3 353.329 4.423 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671741770 1121647011 /nfs/dbraw/zinc/64/70/11/1121647011.db2.gz XVUUCYWYBUKCME-OAHLLOKOSA-N 1 3 353.466 4.226 20 0 FIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371493 1121689032 /nfs/dbraw/zinc/68/90/32/1121689032.db2.gz CJIXSNUJQPZDRR-AZUAARDMSA-N 1 3 350.506 4.401 20 0 FIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371493 1121689037 /nfs/dbraw/zinc/68/90/37/1121689037.db2.gz CJIXSNUJQPZDRR-AZUAARDMSA-N 1 3 350.506 4.401 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371741 1121689188 /nfs/dbraw/zinc/68/91/88/1121689188.db2.gz CJIXSNUJQPZDRR-UYAOXDASSA-N 1 3 350.506 4.401 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371741 1121689191 /nfs/dbraw/zinc/68/91/91/1121689191.db2.gz CJIXSNUJQPZDRR-UYAOXDASSA-N 1 3 350.506 4.401 20 0 FIADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC001168593537 1121710270 /nfs/dbraw/zinc/71/02/70/1121710270.db2.gz LHHILKRBXDCPTO-FGZHOGPDSA-N 1 3 354.538 4.246 20 0 FIADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC001168593537 1121710280 /nfs/dbraw/zinc/71/02/80/1121710280.db2.gz LHHILKRBXDCPTO-FGZHOGPDSA-N 1 3 354.538 4.246 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125614482 1121797550 /nfs/dbraw/zinc/79/75/50/1121797550.db2.gz AQNVUVGRPVRVIY-JKSUJKDBSA-N 1 3 358.555 4.286 20 0 FIADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000125895059 1121863577 /nfs/dbraw/zinc/86/35/77/1121863577.db2.gz JXZSWGRMBAHIIS-FXAWDEMLSA-N 1 3 372.557 4.016 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008901 1121997687 /nfs/dbraw/zinc/99/76/87/1121997687.db2.gz USPYFVWZCSGBGR-KKSFZXQISA-N 1 3 374.475 4.020 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008901 1121997691 /nfs/dbraw/zinc/99/76/91/1121997691.db2.gz USPYFVWZCSGBGR-KKSFZXQISA-N 1 3 374.475 4.020 20 0 FIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186381319 1122072483 /nfs/dbraw/zinc/07/24/83/1122072483.db2.gz PDJBPNKNJKAQIJ-UHFFFAOYSA-N 1 3 354.494 4.073 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186381319 1122072491 /nfs/dbraw/zinc/07/24/91/1122072491.db2.gz PDJBPNKNJKAQIJ-UHFFFAOYSA-N 1 3 354.494 4.073 20 0 FIADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556232846 1122749905 /nfs/dbraw/zinc/74/99/05/1122749905.db2.gz LGNIDBIDOUUSCD-FSSWDIPSSA-N 1 3 356.554 4.084 20 0 FIADHO CCN(CC)CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000556515650 1122938344 /nfs/dbraw/zinc/93/83/44/1122938344.db2.gz RRHVNLRYASTLRZ-IBGZPJMESA-N 1 3 372.475 4.495 20 0 FIADHO CN1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934430 1123247193 /nfs/dbraw/zinc/24/71/93/1123247193.db2.gz VDZREJXZBGQTDW-IBGZPJMESA-N 1 3 361.942 4.381 20 0 FIADHO CN1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934430 1123247198 /nfs/dbraw/zinc/24/71/98/1123247198.db2.gz VDZREJXZBGQTDW-IBGZPJMESA-N 1 3 361.942 4.381 20 0 FIADHO Fc1cccc(F)c1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499149781 1123293311 /nfs/dbraw/zinc/29/33/11/1123293311.db2.gz UKEMERJBHZJNRY-LDLYASANSA-N 1 3 356.460 4.293 20 0 FIADHO Fc1cccc(F)c1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499149781 1123293318 /nfs/dbraw/zinc/29/33/18/1123293318.db2.gz UKEMERJBHZJNRY-LDLYASANSA-N 1 3 356.460 4.293 20 0 FIADHO Fc1cccc(F)c1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499149783 1123293537 /nfs/dbraw/zinc/29/35/37/1123293537.db2.gz UKEMERJBHZJNRY-REPLKXPHSA-N 1 3 356.460 4.293 20 0 FIADHO Fc1cccc(F)c1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499149783 1123293538 /nfs/dbraw/zinc/29/35/38/1123293538.db2.gz UKEMERJBHZJNRY-REPLKXPHSA-N 1 3 356.460 4.293 20 0 FIADHO CCc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499173540 1123306012 /nfs/dbraw/zinc/30/60/12/1123306012.db2.gz WJEOSLZANXWEIT-UEQSERJNSA-N 1 3 364.533 4.068 20 0 FIADHO CCc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000132997143 1123396050 /nfs/dbraw/zinc/39/60/50/1123396050.db2.gz GTVBPXLYBNUZJZ-UHFFFAOYSA-N 1 3 357.567 4.131 20 0 FIADHO C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000133465699 1123489861 /nfs/dbraw/zinc/48/98/61/1123489861.db2.gz USXJYDMYFNPYRR-DYESRHJHSA-N 1 3 354.494 4.192 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263368988 1124030279 /nfs/dbraw/zinc/03/02/79/1124030279.db2.gz XJBCYXNBYOJVKQ-UWJYYQICSA-N 1 3 351.494 4.090 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263368988 1124030284 /nfs/dbraw/zinc/03/02/84/1124030284.db2.gz XJBCYXNBYOJVKQ-UWJYYQICSA-N 1 3 351.494 4.090 20 0 FIADHO COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245645247 1124161266 /nfs/dbraw/zinc/16/12/66/1124161266.db2.gz BJLIZIVGFGJYJF-MZADTFQBSA-N 1 3 354.469 4.120 20 0 FIADHO CC(C)COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246300991 1124439231 /nfs/dbraw/zinc/43/92/31/1124439231.db2.gz DAWHEUAAUNYBGT-OFAXGOBFSA-N 1 3 374.569 4.140 20 0 FIADHO COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1F ZINC000248874417 1124821555 /nfs/dbraw/zinc/82/15/55/1124821555.db2.gz LIUSHFYNYKPVBB-SCTDSRPQSA-N 1 3 362.533 4.256 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000248961365 1124829981 /nfs/dbraw/zinc/82/99/81/1124829981.db2.gz BEBPRBNURUORCJ-IKGGRYGDSA-N 1 3 368.352 4.179 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000248961365 1124829987 /nfs/dbraw/zinc/82/99/87/1124829987.db2.gz BEBPRBNURUORCJ-IKGGRYGDSA-N 1 3 368.352 4.179 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000249628373 1124870070 /nfs/dbraw/zinc/87/00/70/1124870070.db2.gz RFVIGVFXFIDAMK-LJQANCHMSA-N 1 3 366.553 4.059 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000249628373 1124870082 /nfs/dbraw/zinc/87/00/82/1124870082.db2.gz RFVIGVFXFIDAMK-LJQANCHMSA-N 1 3 366.553 4.059 20 0 FIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000672619091 1125195723 /nfs/dbraw/zinc/19/57/23/1125195723.db2.gz IOBFRPLVQVSKPP-BLIXFSHQSA-N 1 3 364.961 4.049 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)[C@H](C)C1 ZINC000604418011 568276044 /nfs/dbraw/zinc/27/60/44/568276044.db2.gz CDABRZRYPBVSCC-NQIIRXRSSA-N 1 3 356.510 4.173 20 0 FIADHO Cc1[nH+]c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc2[nH]ccc21 ZINC001164995390 722206726 /nfs/dbraw/zinc/20/67/26/722206726.db2.gz NFEBGDUERRQHGM-QFIPXVFZSA-N 1 3 364.468 4.255 20 0 FIADHO COc1ccc([C@H](C)NCc2cccc(O)c2)cc1C[NH+]1CCCCC1 ZINC000182746938 1125613280 /nfs/dbraw/zinc/61/32/80/1125613280.db2.gz CWMAMPZWHDNGMG-KRWDZBQOSA-N 1 3 354.494 4.238 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCc2cscn2)cc1CN1CCCCC1 ZINC000183141997 1125759590 /nfs/dbraw/zinc/75/95/90/1125759590.db2.gz RLJWNUBPGODYLE-MRXNPFEDSA-N 1 3 359.539 4.031 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCc2cscn2)cc1CN1CCCCC1 ZINC000183141981 1125760085 /nfs/dbraw/zinc/76/00/85/1125760085.db2.gz RLJWNUBPGODYLE-INIZCTEOSA-N 1 3 359.539 4.031 20 0 FIADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000153250568 1125763975 /nfs/dbraw/zinc/76/39/75/1125763975.db2.gz CMGGJVPCPNWVKN-HXUWFJFHSA-N 1 3 374.532 4.230 20 0 FIADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180119307 1080451109 /nfs/dbraw/zinc/45/11/09/1080451109.db2.gz JWTKLXRRLNNOTM-GCJKJVERSA-N 1 3 371.956 4.045 20 0 FIADHO CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000312519853 1080965465 /nfs/dbraw/zinc/96/54/65/1080965465.db2.gz OIRGYUJSQYDGPM-RXVVDRJESA-N 1 3 368.521 4.094 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704747 1081126868 /nfs/dbraw/zinc/12/68/68/1081126868.db2.gz JZYYWDVDTBKYGL-ICSRJNTNSA-N 1 3 366.505 4.383 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000655805229 1081211712 /nfs/dbraw/zinc/21/17/12/1081211712.db2.gz LGIALQXPFXKCMA-XCRHUMRWSA-N 1 3 363.299 4.061 20 0 FIADHO C[C@@H]1CCCC[C@@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001648830262 1081267482 /nfs/dbraw/zinc/26/74/82/1081267482.db2.gz NGAQJSWSWHNSGT-FYYLOGMGSA-N 1 3 357.586 4.000 20 0 FIADHO Cc1ncncc1[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000579972387 1081315355 /nfs/dbraw/zinc/31/53/55/1081315355.db2.gz VZWJQINTIMCYIP-HNNXBMFYSA-N 1 3 358.917 4.001 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H](c1ccccc1)N(C)C ZINC000471585485 1081984350 /nfs/dbraw/zinc/98/43/50/1081984350.db2.gz MKILJLNUKXBVDB-PJIZGREPSA-N 1 3 357.586 4.311 20 0 FIADHO Cc1ccc([C@H](NCc2ccncc2OCCC[NH+](C)C)C2CCC2)cc1 ZINC000581274985 1082427865 /nfs/dbraw/zinc/42/78/65/1082427865.db2.gz MSQBBSRRZFYXHS-HSZRJFAPSA-N 1 3 367.537 4.352 20 0 FIADHO CCCC[C@@H](CC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000581384494 1082507000 /nfs/dbraw/zinc/50/70/00/1082507000.db2.gz YQJXNHNRMSTLIS-FGZHOGPDSA-N 1 3 358.570 4.474 20 0 FIADHO CC(C)c1ccc(-c2ncc(CN3CCC(OCCC[NH3+])CC3)s2)cc1 ZINC000430601806 1082567498 /nfs/dbraw/zinc/56/74/98/1082567498.db2.gz URGAKKCTSGMNFL-UHFFFAOYSA-N 1 3 373.566 4.263 20 0 FIADHO CC[N@H+](C)C[C@H]1CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879789 /nfs/dbraw/zinc/87/97/89/1082879789.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 1 3 358.476 4.370 20 0 FIADHO CC[N@@H+](C)C[C@H]1CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879794 /nfs/dbraw/zinc/87/97/94/1082879794.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 1 3 358.476 4.370 20 0 FIADHO CCN(C)C[C@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879797 /nfs/dbraw/zinc/87/97/97/1082879797.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 1 3 358.476 4.370 20 0 FIADHO CCN(C)C[C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000559068922 1082879800 /nfs/dbraw/zinc/87/98/00/1082879800.db2.gz QRGVBCCLTFDSRH-QGZVFWFLSA-N 1 3 358.476 4.370 20 0 FIADHO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000658319516 1083406578 /nfs/dbraw/zinc/40/65/78/1083406578.db2.gz DSRAMHYCPDJCHQ-QFBILLFUSA-N 1 3 355.551 4.404 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000510980641 1083556503 /nfs/dbraw/zinc/55/65/03/1083556503.db2.gz YMVBCEVJQZTXKJ-PERKRYKHSA-N 1 3 368.496 4.322 20 0 FIADHO C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000181342098 1083874216 /nfs/dbraw/zinc/87/42/16/1083874216.db2.gz PPIGFZGZDMVUMF-KRWDZBQOSA-N 1 3 371.525 4.050 20 0 FIADHO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1F ZINC000544081869 1083883408 /nfs/dbraw/zinc/88/34/08/1083883408.db2.gz MRRJPURXWUSIMS-KRWDZBQOSA-N 1 3 362.533 4.400 20 0 FIADHO Cc1ccc2[nH]c(CNCc3cccc(OCC[NH+](C)C)c3)cc2c1C ZINC000472034607 1084127868 /nfs/dbraw/zinc/12/78/68/1084127868.db2.gz GFEPOZQQFYUZFO-UHFFFAOYSA-N 1 3 351.494 4.015 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@]1(C)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000382384491 1084131380 /nfs/dbraw/zinc/13/13/80/1084131380.db2.gz SDBDFIMOLWISRV-GOTSBHOMSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@]1(C)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000382384491 1084131386 /nfs/dbraw/zinc/13/13/86/1084131386.db2.gz SDBDFIMOLWISRV-GOTSBHOMSA-N 1 3 350.506 4.184 20 0 FIADHO Cc1ccc2[nH]c(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc2c1C ZINC000472078685 1084251153 /nfs/dbraw/zinc/25/11/53/1084251153.db2.gz CVFCUWBFYIVKLP-OAQYLSRUSA-N 1 3 361.533 4.439 20 0 FIADHO Cc1cc(C)c([C@H](C)[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(C)c1 ZINC000582208919 1084763388 /nfs/dbraw/zinc/76/33/88/1084763388.db2.gz SNPGOKBLKDMSGT-NRFANRHFSA-N 1 3 357.586 4.022 20 0 FIADHO Cc1ncsc1-c1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000657382082 1084818603 /nfs/dbraw/zinc/81/86/03/1084818603.db2.gz AINCQMCYLZZQRA-UHFFFAOYSA-N 1 3 373.566 4.098 20 0 FIADHO COCc1ccc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000549549501 1085671198 /nfs/dbraw/zinc/67/11/98/1085671198.db2.gz UDVDABGUWCVAKZ-MOJGAOKDSA-N 1 3 352.522 4.079 20 0 FIADHO COCc1ccc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000549549501 1085671204 /nfs/dbraw/zinc/67/12/04/1085671204.db2.gz UDVDABGUWCVAKZ-MOJGAOKDSA-N 1 3 352.522 4.079 20 0 FIADHO C[C@@H](CCc1ccccc1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613933 1085699288 /nfs/dbraw/zinc/69/92/88/1085699288.db2.gz XPHKIHVQWMDPLI-FQEVSTJZSA-N 1 3 351.538 4.152 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C[C@H](C)O1 ZINC000652166535 1085733201 /nfs/dbraw/zinc/73/32/01/1085733201.db2.gz VHTBRZOWHUVUGX-XQBPLPMBSA-N 1 3 359.558 4.182 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000120451430 1085837442 /nfs/dbraw/zinc/83/74/42/1085837442.db2.gz WYVLYYGTEMRANL-KRWDZBQOSA-N 1 3 353.510 4.338 20 0 FIADHO COCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024061 1086041435 /nfs/dbraw/zinc/04/14/35/1086041435.db2.gz FPGHOAGFGLGKJN-QFIPXVFZSA-N 1 3 350.506 4.120 20 0 FIADHO COCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024061 1086041445 /nfs/dbraw/zinc/04/14/45/1086041445.db2.gz FPGHOAGFGLGKJN-QFIPXVFZSA-N 1 3 350.506 4.120 20 0 FIADHO COc1c(F)cccc1CN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001143523317 1086391342 /nfs/dbraw/zinc/39/13/42/1086391342.db2.gz IYKHSCUAGFIFJS-HXUWFJFHSA-N 1 3 372.484 4.304 20 0 FIADHO COc1c(F)cccc1CN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001143523317 1086391356 /nfs/dbraw/zinc/39/13/56/1086391356.db2.gz IYKHSCUAGFIFJS-HXUWFJFHSA-N 1 3 372.484 4.304 20 0 FIADHO Clc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1 ZINC000662296004 1086400908 /nfs/dbraw/zinc/40/09/08/1086400908.db2.gz JVAUOHVDEAGNKI-QGZVFWFLSA-N 1 3 359.901 4.207 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441525 1086544992 /nfs/dbraw/zinc/54/49/92/1086544992.db2.gz UWIPZSCVWUMYBS-XNRPHZJLSA-N 1 3 369.372 4.448 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441525 1086545000 /nfs/dbraw/zinc/54/50/00/1086545000.db2.gz UWIPZSCVWUMYBS-XNRPHZJLSA-N 1 3 369.372 4.448 20 0 FIADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)CC3 ZINC000663468537 1086572715 /nfs/dbraw/zinc/57/27/15/1086572715.db2.gz LWCVRGLJVHKDQW-OALUTQOASA-N 1 3 351.538 4.045 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469982 1086575533 /nfs/dbraw/zinc/57/55/33/1086575533.db2.gz SHCQPUDPUWJRFY-UYAOXDASSA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469982 1086575547 /nfs/dbraw/zinc/57/55/47/1086575547.db2.gz SHCQPUDPUWJRFY-UYAOXDASSA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469982 1086575559 /nfs/dbraw/zinc/57/55/59/1086575559.db2.gz SHCQPUDPUWJRFY-UYAOXDASSA-N 1 3 371.569 4.239 20 0 FIADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000162903294 1086581967 /nfs/dbraw/zinc/58/19/67/1086581967.db2.gz FFRIJVBROARHSL-QGZVFWFLSA-N 1 3 351.494 4.092 20 0 FIADHO C[C@H]1C[N@H+](CCCNCc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346045 1086641464 /nfs/dbraw/zinc/64/14/64/1086641464.db2.gz KBBILSAYHZIFME-INIZCTEOSA-N 1 3 362.514 4.145 20 0 FIADHO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346045 1086641467 /nfs/dbraw/zinc/64/14/67/1086641467.db2.gz KBBILSAYHZIFME-INIZCTEOSA-N 1 3 362.514 4.145 20 0 FIADHO COc1ccccc1[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432406965 1086728725 /nfs/dbraw/zinc/72/87/25/1086728725.db2.gz JYTXBMDEGLXHNT-AVRDEDQJSA-N 1 3 360.542 4.017 20 0 FIADHO COc1ccccc1[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432406965 1086728734 /nfs/dbraw/zinc/72/87/34/1086728734.db2.gz JYTXBMDEGLXHNT-AVRDEDQJSA-N 1 3 360.542 4.017 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3occc3c2)cc1 ZINC000512086198 1086750188 /nfs/dbraw/zinc/75/01/88/1086750188.db2.gz BQLSRXVYSPAHMD-UHFFFAOYSA-N 1 3 352.478 4.443 20 0 FIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432438977 1086771232 /nfs/dbraw/zinc/77/12/32/1086771232.db2.gz DYVYDLPALHEXSN-ZLGJRNTRSA-N 1 3 351.332 4.158 20 0 FIADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCCc2c(Cl)cccc2Cl)C1 ZINC000650723701 1086831493 /nfs/dbraw/zinc/83/14/93/1086831493.db2.gz SDAAQVZMRREBFN-CCKFTAQKSA-N 1 3 371.352 4.287 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097865 1086905807 /nfs/dbraw/zinc/90/58/07/1086905807.db2.gz RCPLERQPWSQHOT-ICSRJNTNSA-N 1 3 362.521 4.306 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097865 1086905808 /nfs/dbraw/zinc/90/58/08/1086905808.db2.gz RCPLERQPWSQHOT-ICSRJNTNSA-N 1 3 362.521 4.306 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000650758066 1086974351 /nfs/dbraw/zinc/97/43/51/1086974351.db2.gz HYLILSHOIMIIOW-CYBMUJFWSA-N 1 3 363.299 4.028 20 0 FIADHO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000685662043 1087666937 /nfs/dbraw/zinc/66/69/37/1087666937.db2.gz YZFGSYGQLKQZHW-KPLVRAHFSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@]1(C)OCCc2sccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685662043 1087666939 /nfs/dbraw/zinc/66/69/39/1087666939.db2.gz YZFGSYGQLKQZHW-KPLVRAHFSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@]1(C)OCCc2sccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662043 1087666940 /nfs/dbraw/zinc/66/69/40/1087666940.db2.gz YZFGSYGQLKQZHW-KPLVRAHFSA-N 1 3 370.562 4.036 20 0 FIADHO Cc1ccc2cc([C@H](C)NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)oc2c1 ZINC000658141925 1087733198 /nfs/dbraw/zinc/73/31/98/1087733198.db2.gz XVJXFVTZGLWDTJ-UWJYYQICSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1ccc2cc([C@H](C)NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc2c1 ZINC000658141925 1087733208 /nfs/dbraw/zinc/73/32/08/1087733208.db2.gz XVJXFVTZGLWDTJ-UWJYYQICSA-N 1 3 364.489 4.159 20 0 FIADHO CC1(C)Cc2occc2[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658166732 1087763100 /nfs/dbraw/zinc/76/31/00/1087763100.db2.gz OIQIJTWXCUSZBU-FQEVSTJZSA-N 1 3 353.510 4.190 20 0 FIADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168443 1087763968 /nfs/dbraw/zinc/76/39/68/1087763968.db2.gz XFDNBRYRORZESS-OALUTQOASA-N 1 3 367.537 4.084 20 0 FIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000504896656 1087968660 /nfs/dbraw/zinc/96/86/60/1087968660.db2.gz ZDYQTFLXIBOYHO-AUSIDOKSSA-N 1 3 363.549 4.081 20 0 FIADHO c1ccc(COc2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000178954712 1088723886 /nfs/dbraw/zinc/72/38/86/1088723886.db2.gz VOEXDOOKSFIQEU-FGZHOGPDSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000178954712 1088723899 /nfs/dbraw/zinc/72/38/99/1088723899.db2.gz VOEXDOOKSFIQEU-FGZHOGPDSA-N 1 3 350.506 4.025 20 0 FIADHO CCOCOc1ccc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000782960918 1088751391 /nfs/dbraw/zinc/75/13/91/1088751391.db2.gz VTGPSCFDUKEVJM-IBGZPJMESA-N 1 3 368.521 4.375 20 0 FIADHO c1ccc(-c2ccccc2OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415079096 1089135746 /nfs/dbraw/zinc/13/57/46/1089135746.db2.gz HFUKDONYDNWVRZ-VSKRKVRLSA-N 1 3 350.506 4.243 20 0 FIADHO C[NH+](C)CCOc1cnccc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000515249710 1089913353 /nfs/dbraw/zinc/91/33/53/1089913353.db2.gz LEPGVCSOQJHOEA-OAQYLSRUSA-N 1 3 353.510 4.043 20 0 FIADHO FC(F)(F)[C@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C[C@@H](C(F)(F)F)C1 ZINC000925527638 1090270293 /nfs/dbraw/zinc/27/02/93/1090270293.db2.gz WAKSJMKUYJUCGV-MROQNXINSA-N 1 3 358.370 4.160 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000312305921 1090527162 /nfs/dbraw/zinc/52/71/62/1090527162.db2.gz ZCKLDHLLWACQOZ-HXUWFJFHSA-N 1 3 373.541 4.485 20 0 FIADHO CCn1cncc1CNCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000417853395 1090981871 /nfs/dbraw/zinc/98/18/71/1090981871.db2.gz FVVOIFZPPGRQOW-UHFFFAOYSA-N 1 3 374.532 4.456 20 0 FIADHO Clc1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000388315465 1090985206 /nfs/dbraw/zinc/98/52/06/1090985206.db2.gz KTHFLOKFQRVZBV-GOSISDBHSA-N 1 3 365.908 4.500 20 0 FIADHO Clc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000388315465 1090985210 /nfs/dbraw/zinc/98/52/10/1090985210.db2.gz KTHFLOKFQRVZBV-GOSISDBHSA-N 1 3 365.908 4.500 20 0 FIADHO Cc1cccc([C@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000500137236 1091063939 /nfs/dbraw/zinc/06/39/39/1091063939.db2.gz HPLOTDUYWBKFFQ-HSZRJFAPSA-N 1 3 357.586 4.328 20 0 FIADHO Cc1cccc([C@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000500137236 1091063947 /nfs/dbraw/zinc/06/39/47/1091063947.db2.gz HPLOTDUYWBKFFQ-HSZRJFAPSA-N 1 3 357.586 4.328 20 0 FIADHO C[C@H]1C[C@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)CCN1C ZINC000390519709 1091163304 /nfs/dbraw/zinc/16/33/04/1091163304.db2.gz FSMVHZYGHNLXAZ-XUZZJYLKSA-N 1 3 365.565 4.151 20 0 FIADHO CCc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000652032932 1091247646 /nfs/dbraw/zinc/24/76/46/1091247646.db2.gz NSWMCIMJYOYRSX-UHFFFAOYSA-N 1 3 351.538 4.069 20 0 FIADHO c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291895 1092014647 /nfs/dbraw/zinc/01/46/47/1092014647.db2.gz DQDXSTPPZKAXGQ-DEOSSOPVSA-N 1 3 357.501 4.333 20 0 FIADHO c1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291895 1092014657 /nfs/dbraw/zinc/01/46/57/1092014657.db2.gz DQDXSTPPZKAXGQ-DEOSSOPVSA-N 1 3 357.501 4.333 20 0 FIADHO CCOc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc(Cl)c1O ZINC000508338187 1092255057 /nfs/dbraw/zinc/25/50/57/1092255057.db2.gz JCTPDQISUILQCN-UHFFFAOYSA-N 1 3 374.912 4.330 20 0 FIADHO c1cc2cc(CC[NH2+][C@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)ccc2[nH]1 ZINC000442820254 1092789728 /nfs/dbraw/zinc/78/97/28/1092789728.db2.gz KFBODLBSQYMZQM-FIXSFTCYSA-N 1 3 359.517 4.211 20 0 FIADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000442861134 1092803666 /nfs/dbraw/zinc/80/36/66/1092803666.db2.gz CZCLFKMHOFOAMQ-LJQANCHMSA-N 1 3 367.537 4.156 20 0 FIADHO Cc1ccc(C)c([C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc2)c1 ZINC000442893252 1092846403 /nfs/dbraw/zinc/84/64/03/1092846403.db2.gz XFKNQCCJJRLDLJ-QHCPKHFHSA-N 1 3 365.565 4.008 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053379 1093153817 /nfs/dbraw/zinc/15/38/17/1093153817.db2.gz DLNHPEXIFYAQAU-HKUYNNGSSA-N 1 3 350.497 4.355 20 0 FIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(CO)CC(c4ccccc4)C3)CC2)C1 ZINC000433094079 1093241577 /nfs/dbraw/zinc/24/15/77/1093241577.db2.gz TXUPQOAJYVMKOG-ZOGZRVJRSA-N 1 3 370.581 4.175 20 0 FIADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000389082517 1093347595 /nfs/dbraw/zinc/34/75/95/1093347595.db2.gz DMSRXISUTXJOCV-UGKGYDQZSA-N 1 3 352.522 4.215 20 0 FIADHO C[C@H]1CC(N[C@@H]2COc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024705 1093412566 /nfs/dbraw/zinc/41/25/66/1093412566.db2.gz HUDSRRRUDKSMTR-SPEDKVCISA-N 1 3 350.506 4.021 20 0 FIADHO Cc1ccc(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000513439569 1094126622 /nfs/dbraw/zinc/12/66/22/1094126622.db2.gz PNUTYQKFYVZYEV-UHFFFAOYSA-N 1 3 357.567 4.219 20 0 FIADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000513667393 1094263010 /nfs/dbraw/zinc/26/30/10/1094263010.db2.gz RGQUCOJHSLSMDZ-RMRNXIRCSA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)c1ccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000500992776 1094409131 /nfs/dbraw/zinc/40/91/31/1094409131.db2.gz PKUWLVHVORXHED-HSZRJFAPSA-N 1 3 357.586 4.363 20 0 FIADHO CC(C)c1ccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000500992776 1094409132 /nfs/dbraw/zinc/40/91/32/1094409132.db2.gz PKUWLVHVORXHED-HSZRJFAPSA-N 1 3 357.586 4.363 20 0 FIADHO Fc1ccc(C(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404007 1094697719 /nfs/dbraw/zinc/69/77/19/1094697719.db2.gz FDRAPBHRRPYMRL-NHCUHLMSSA-N 1 3 356.460 4.313 20 0 FIADHO Fc1ccc(C(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404007 1094697722 /nfs/dbraw/zinc/69/77/22/1094697722.db2.gz FDRAPBHRRPYMRL-NHCUHLMSSA-N 1 3 356.460 4.313 20 0 FIADHO CCCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420325005 1094889758 /nfs/dbraw/zinc/88/97/58/1094889758.db2.gz VXLMYNCVHAROPG-AWEZNQCLSA-N 1 3 372.340 4.034 20 0 FIADHO COc1ccc([C@@H](C[NH3+])CN[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000420416907 1094914315 /nfs/dbraw/zinc/91/43/15/1094914315.db2.gz WAXHYJDNMNBJSY-ZFWWWQNUSA-N 1 3 352.400 4.107 20 0 FIADHO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000422730098 1096464017 /nfs/dbraw/zinc/46/40/17/1096464017.db2.gz DDJJZWMACDTNNL-MRXNPFEDSA-N 1 3 353.510 4.020 20 0 FIADHO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000422742654 1096478185 /nfs/dbraw/zinc/47/81/85/1096478185.db2.gz GSFIVHSZTLUIOF-VFNWGFHPSA-N 1 3 374.960 4.236 20 0 FIADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000422769360 1096486299 /nfs/dbraw/zinc/48/62/99/1096486299.db2.gz OTEVTTPRTZLNCV-OWSXEPHWSA-N 1 3 362.517 4.472 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422781447 1096489893 /nfs/dbraw/zinc/48/98/93/1096489893.db2.gz KQBKOIGDLDABOZ-UWVAXJGDSA-N 1 3 356.510 4.011 20 0 FIADHO COc1cc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(C)C ZINC000422805431 1096496289 /nfs/dbraw/zinc/49/62/89/1096496289.db2.gz GSIYKGYULUUKPT-LSDHHAIUSA-N 1 3 357.498 4.056 20 0 FIADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881143 1096511174 /nfs/dbraw/zinc/51/11/74/1096511174.db2.gz POJKZXPVDHWTJK-KBXCAEBGSA-N 1 3 371.352 4.149 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939096 1096530805 /nfs/dbraw/zinc/53/08/05/1096530805.db2.gz QTBNDHFNPRCTEP-KRWDZBQOSA-N 1 3 361.489 4.245 20 0 FIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945650 1096535557 /nfs/dbraw/zinc/53/55/57/1096535557.db2.gz NOOIICFUAVILAO-QKNQBKEWSA-N 1 3 354.881 4.173 20 0 FIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945651 1096536142 /nfs/dbraw/zinc/53/61/42/1096536142.db2.gz NOOIICFUAVILAO-ZJOUEHCJSA-N 1 3 354.881 4.173 20 0 FIADHO [NH3+][C@H]1C[C@H](NCC2(c3ccccc3Cl)CCOCC2)c2ccccc21 ZINC000422954945 1096538996 /nfs/dbraw/zinc/53/89/96/1096538996.db2.gz IPYGXLCKRHQLRB-PMACEKPBSA-N 1 3 356.897 4.123 20 0 FIADHO c1ccc(-c2cccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)nc1 ZINC000422993809 1096542950 /nfs/dbraw/zinc/54/29/50/1096542950.db2.gz GHQICHTXIPEQNP-VWNXMTODSA-N 1 3 371.484 4.094 20 0 FIADHO Clc1ccc(COCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423021799 1096551901 /nfs/dbraw/zinc/55/19/01/1096551901.db2.gz CXHLGRLQGKECLJ-KBAYOESNSA-N 1 3 357.325 4.020 20 0 FIADHO Fc1ccc2c(c1)[C@@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089871 1096571246 /nfs/dbraw/zinc/57/12/46/1096571246.db2.gz WETDCLKTZGYCIL-JAXLGGSGSA-N 1 3 352.453 4.049 20 0 FIADHO FC(F)(F)c1cccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCOCC2)c1 ZINC000423101171 1096575120 /nfs/dbraw/zinc/57/51/20/1096575120.db2.gz IFWYPPPNVHTHQT-SWDXFRIISA-N 1 3 368.443 4.046 20 0 FIADHO c1cc2cc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2s1 ZINC000423120916 1096578452 /nfs/dbraw/zinc/57/84/52/1096578452.db2.gz HVDUCMGSXFNWKE-NQIIRXRSSA-N 1 3 350.487 4.247 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423113089 1096585675 /nfs/dbraw/zinc/58/56/75/1096585675.db2.gz YIVXSSRVGYSJLT-SZNDQCEHSA-N 1 3 373.928 4.321 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423139897 1096594594 /nfs/dbraw/zinc/59/45/94/1096594594.db2.gz WUECVEIMAVVRAA-SCLBCKFNSA-N 1 3 351.416 4.236 20 0 FIADHO Fc1cccc(Cl)c1[C@@H]1C[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172908 1096602704 /nfs/dbraw/zinc/60/27/04/1096602704.db2.gz VXVHZQRNSJKUDA-UTQVJTIVSA-N 1 3 372.871 4.181 20 0 FIADHO CSc1cccc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2cc(F)ccc2F)c1 ZINC000423247065 1096628596 /nfs/dbraw/zinc/62/85/96/1096628596.db2.gz KQMDBYUYLMXUKO-VBKZILBWSA-N 1 3 362.489 4.365 20 0 FIADHO CCC(N)(CC)C[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000423289951 1096636179 /nfs/dbraw/zinc/63/61/79/1096636179.db2.gz YOZIDZKAUIYVRZ-MRXNPFEDSA-N 1 3 357.336 4.024 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3sc(Br)cc32)cc1 ZINC000423293161 1096637085 /nfs/dbraw/zinc/63/70/85/1096637085.db2.gz QASAPGUGVSJZCA-QMTHXVAHSA-N 1 3 351.313 4.307 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423296174 1096644515 /nfs/dbraw/zinc/64/45/15/1096644515.db2.gz YNWNWOZDHINKDT-JKSUJKDBSA-N 1 3 354.498 4.087 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423296171 1096644728 /nfs/dbraw/zinc/64/47/28/1096644728.db2.gz YNWNWOZDHINKDT-CVEARBPZSA-N 1 3 354.498 4.087 20 0 FIADHO Clc1cc(Br)ccc1[C@H](NCC1=CC[NH2+]CC1)C1CC1 ZINC000423360625 1096656317 /nfs/dbraw/zinc/65/63/17/1096656317.db2.gz WGBZNXQKLIWPGJ-MRXNPFEDSA-N 1 3 355.707 4.063 20 0 FIADHO Brc1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]C3)C2CC2)s1 ZINC000423366630 1096657970 /nfs/dbraw/zinc/65/79/70/1096657970.db2.gz BXJJSPZBHXZLAV-KRWDZBQOSA-N 1 3 363.324 4.355 20 0 FIADHO CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423510649 1096710043 /nfs/dbraw/zinc/71/00/43/1096710043.db2.gz MWIQKCVYYAVSFT-ROUUACIJSA-N 1 3 370.493 4.212 20 0 FIADHO Brc1ccc([C@@H](NCCC2=CC[NH2+]CC2)c2ccco2)cc1 ZINC000423546135 1096718152 /nfs/dbraw/zinc/71/81/52/1096718152.db2.gz YTUPWCWSYFXVJK-GOSISDBHSA-N 1 3 361.283 4.031 20 0 FIADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000515702534 1098845797 /nfs/dbraw/zinc/84/57/97/1098845797.db2.gz NZVODVDQEJUBJE-FQEVSTJZSA-N 1 3 354.469 4.207 20 0 FIADHO C[C@H]1C[C@H](NCc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288029 1098903387 /nfs/dbraw/zinc/90/33/87/1098903387.db2.gz DNISEZHZTMEHJA-OXJNMPFZSA-N 1 3 366.534 4.281 20 0 FIADHO C[C@H]1C[C@H](NCc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288029 1098903390 /nfs/dbraw/zinc/90/33/90/1098903390.db2.gz DNISEZHZTMEHJA-OXJNMPFZSA-N 1 3 366.534 4.281 20 0 FIADHO C[C@H]1C[C@@H](NCc2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000436288026 1098903965 /nfs/dbraw/zinc/90/39/65/1098903965.db2.gz DNISEZHZTMEHJA-JXFKEZNVSA-N 1 3 366.534 4.281 20 0 FIADHO C[C@H]1C[C@@H](NCc2c[nH]nc2-c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000436288026 1098903968 /nfs/dbraw/zinc/90/39/68/1098903968.db2.gz DNISEZHZTMEHJA-JXFKEZNVSA-N 1 3 366.534 4.281 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000286138974 1098925703 /nfs/dbraw/zinc/92/57/03/1098925703.db2.gz OVYKHBXTWNZHMF-QFIPXVFZSA-N 1 3 367.537 4.227 20 0 FIADHO C[C@]1(CNCc2c[nH]nc2-c2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000436404000 1098992907 /nfs/dbraw/zinc/99/29/07/1098992907.db2.gz AZBFNQBWVJFICW-OAQYLSRUSA-N 1 3 366.534 4.283 20 0 FIADHO C[C@]1(CNCc2c[nH]nc2-c2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000436404000 1098992911 /nfs/dbraw/zinc/99/29/11/1098992911.db2.gz AZBFNQBWVJFICW-OAQYLSRUSA-N 1 3 366.534 4.283 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692885 1099826982 /nfs/dbraw/zinc/82/69/82/1099826982.db2.gz BPZUNCCJIVRRJS-HBFSDRIKSA-N 1 3 356.485 4.093 20 0 FIADHO CSc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162554976 1099842364 /nfs/dbraw/zinc/84/23/64/1099842364.db2.gz ASJCPOMYGNAREV-OAHLLOKOSA-N 1 3 362.514 4.339 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702104 1099858632 /nfs/dbraw/zinc/85/86/32/1099858632.db2.gz YNXRTPFAKIXUMC-HBFSDRIKSA-N 1 3 356.485 4.093 20 0 FIADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000516870694 1099899688 /nfs/dbraw/zinc/89/96/88/1099899688.db2.gz KVDJIISYHVGUIV-ICSRJNTNSA-N 1 3 364.574 4.275 20 0 FIADHO CO[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721165 1099939545 /nfs/dbraw/zinc/93/95/45/1099939545.db2.gz UANVVRIKQWTLBG-UCNVEGJOSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721165 1099939550 /nfs/dbraw/zinc/93/95/50/1099939550.db2.gz UANVVRIKQWTLBG-UCNVEGJOSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721165 1099939551 /nfs/dbraw/zinc/93/95/51/1099939551.db2.gz UANVVRIKQWTLBG-UCNVEGJOSA-N 1 3 356.485 4.013 20 0 FIADHO COc1ccccc1[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459418706 1100145033 /nfs/dbraw/zinc/14/50/33/1100145033.db2.gz TZOGVAVNWDISTA-DEOSSOPVSA-N 1 3 373.500 4.438 20 0 FIADHO COc1ccccc1/C=C/C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673994 1100161196 /nfs/dbraw/zinc/16/11/96/1100161196.db2.gz IZXRIRAWACNKRJ-HSRJRILOSA-N 1 3 350.506 4.162 20 0 FIADHO COc1ccccc1/C=C/C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673994 1100161201 /nfs/dbraw/zinc/16/12/01/1100161201.db2.gz IZXRIRAWACNKRJ-HSRJRILOSA-N 1 3 350.506 4.162 20 0 FIADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000536860362 1100376629 /nfs/dbraw/zinc/37/66/29/1100376629.db2.gz YZWLFHBEWJDTLU-BXWFABGCSA-N 1 3 370.484 4.218 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000536859452 1100376840 /nfs/dbraw/zinc/37/68/40/1100376840.db2.gz UYNXXYJSRUBJBP-BZUAXINKSA-N 1 3 374.447 4.125 20 0 FIADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000536882438 1100407196 /nfs/dbraw/zinc/40/71/96/1100407196.db2.gz NOVHRVMDJDDCNS-HNNXBMFYSA-N 1 3 365.359 4.377 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000414921851 1100417553 /nfs/dbraw/zinc/41/75/53/1100417553.db2.gz FAJSFYGOSPRUCQ-ZNEWLNCYSA-N 1 3 361.533 4.146 20 0 FIADHO Cc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968730 1100838980 /nfs/dbraw/zinc/83/89/80/1100838980.db2.gz HJJVUKPKTQVCLH-HXUWFJFHSA-N 1 3 370.562 4.075 20 0 FIADHO Cc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968730 1100838989 /nfs/dbraw/zinc/83/89/89/1100838989.db2.gz HJJVUKPKTQVCLH-HXUWFJFHSA-N 1 3 370.562 4.075 20 0 FIADHO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968730 1100838998 /nfs/dbraw/zinc/83/89/98/1100838998.db2.gz HJJVUKPKTQVCLH-HXUWFJFHSA-N 1 3 370.562 4.075 20 0 FIADHO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1O ZINC000426159747 1100929889 /nfs/dbraw/zinc/92/98/89/1100929889.db2.gz IOMKZJIHUAIFEI-QGZVFWFLSA-N 1 3 360.542 4.109 20 0 FIADHO CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909362 1101334516 /nfs/dbraw/zinc/33/45/16/1101334516.db2.gz LKYRQEVSIGAFSE-INMHGKMJSA-N 1 3 358.448 4.183 20 0 FIADHO CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909362 1101334534 /nfs/dbraw/zinc/33/45/34/1101334534.db2.gz LKYRQEVSIGAFSE-INMHGKMJSA-N 1 3 358.448 4.183 20 0 FIADHO CC(C)[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000537012763 1101393852 /nfs/dbraw/zinc/39/38/52/1101393852.db2.gz GFQJJGAWMNTMGF-HXUWFJFHSA-N 1 3 357.498 4.227 20 0 FIADHO [NH3+][C@H]1CCC[C@@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414999509 1101482472 /nfs/dbraw/zinc/48/24/72/1101482472.db2.gz JEIVHIOUXMTUSS-DOMZBBRYSA-N 1 3 369.456 4.436 20 0 FIADHO Cc1cccc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000537160154 1101506321 /nfs/dbraw/zinc/50/63/21/1101506321.db2.gz DXCSDFXYWIGVHP-OAQYLSRUSA-N 1 3 350.506 4.115 20 0 FIADHO COc1cccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC(C)C ZINC000518763516 1101518951 /nfs/dbraw/zinc/51/89/51/1101518951.db2.gz RTFMRJUAGMCLAY-RTBURBONSA-N 1 3 362.558 4.330 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cc(C)c(C)cc2C)CC1 ZINC000518761384 1101532995 /nfs/dbraw/zinc/53/29/95/1101532995.db2.gz RABCQOLZVSSQMP-UHFFFAOYSA-N 1 3 365.565 4.039 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000537205213 1101559658 /nfs/dbraw/zinc/55/96/58/1101559658.db2.gz ARBFLELHYLKJKG-UHFFFAOYSA-N 1 3 363.977 4.492 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000537205213 1101559665 /nfs/dbraw/zinc/55/96/65/1101559665.db2.gz ARBFLELHYLKJKG-UHFFFAOYSA-N 1 3 363.977 4.492 20 0 FIADHO COc1ccc(CC2([NH3+])CCN([C@H](C)Cc3ccc(Cl)cc3)CC2)cc1 ZINC001168166086 1101768184 /nfs/dbraw/zinc/76/81/84/1101768184.db2.gz HFAGNTCGWZQECZ-QGZVFWFLSA-N 1 3 372.940 4.316 20 0 FIADHO COc1cccc(CC2([NH3+])CCN([C@@H](C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001168169174 1101850483 /nfs/dbraw/zinc/85/04/83/1101850483.db2.gz XLORNGCMMUNFPW-KRWDZBQOSA-N 1 3 372.940 4.316 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000397997787 1101957940 /nfs/dbraw/zinc/95/79/40/1101957940.db2.gz CNZQWDMXYACBMO-BBTUJRGHSA-N 1 3 368.521 4.265 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000397997787 1101957944 /nfs/dbraw/zinc/95/79/44/1101957944.db2.gz CNZQWDMXYACBMO-BBTUJRGHSA-N 1 3 368.521 4.265 20 0 FIADHO CCOc1cccc([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000120573115 1102235494 /nfs/dbraw/zinc/23/54/94/1102235494.db2.gz IYTBKQAWUOAPFJ-MSOLQXFVSA-N 1 3 356.510 4.438 20 0 FIADHO C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000648506066 1102296726 /nfs/dbraw/zinc/29/67/26/1102296726.db2.gz QJDFWGKNZYGZFL-WBVHZDCISA-N 1 3 369.896 4.481 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)CCN1Cc1ccccc1 ZINC000532441724 1102329604 /nfs/dbraw/zinc/32/96/04/1102329604.db2.gz FHAKPWRZKLRPMI-CEMLEFRQSA-N 1 3 367.537 4.059 20 0 FIADHO Fc1ccc(C(F)(F)F)cc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971563 1102464917 /nfs/dbraw/zinc/46/49/17/1102464917.db2.gz YPWWFZONEMCWIM-AYHJJNSGSA-N 1 3 370.434 4.382 20 0 FIADHO Fc1ccc(C(F)(F)F)cc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971563 1102464933 /nfs/dbraw/zinc/46/49/33/1102464933.db2.gz YPWWFZONEMCWIM-AYHJJNSGSA-N 1 3 370.434 4.382 20 0 FIADHO CC1CCC([NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001168212879 1102490064 /nfs/dbraw/zinc/49/00/64/1102490064.db2.gz SVALUDBSRCKIHP-CTWPCTMYSA-N 1 3 362.583 4.382 20 0 FIADHO C[C@H]1C[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782515 1102564160 /nfs/dbraw/zinc/56/41/60/1102564160.db2.gz STNWOJGYJQFMSN-GBXCKJPGSA-N 1 3 374.532 4.357 20 0 FIADHO C[C@H]1C[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782515 1102564169 /nfs/dbraw/zinc/56/41/69/1102564169.db2.gz STNWOJGYJQFMSN-GBXCKJPGSA-N 1 3 374.532 4.357 20 0 FIADHO COc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1 ZINC001167975554 1102650123 /nfs/dbraw/zinc/65/01/23/1102650123.db2.gz SATDATPQGBIMCJ-SEJPIABJSA-N 1 3 354.538 4.155 20 0 FIADHO COc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167975554 1102650133 /nfs/dbraw/zinc/65/01/33/1102650133.db2.gz SATDATPQGBIMCJ-SEJPIABJSA-N 1 3 354.538 4.155 20 0 FIADHO COc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975554 1102650142 /nfs/dbraw/zinc/65/01/42/1102650142.db2.gz SATDATPQGBIMCJ-SEJPIABJSA-N 1 3 354.538 4.155 20 0 FIADHO Cc1nc(C)c(CN2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664838597 1102705742 /nfs/dbraw/zinc/70/57/42/1102705742.db2.gz VDXLRFJHMJHLLI-JOCHJYFZSA-N 1 3 367.537 4.414 20 0 FIADHO Cc1nc2c(s1)[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000359892370 1102900755 /nfs/dbraw/zinc/90/07/55/1102900755.db2.gz BGIUMOSVYZZDAZ-KBXCAEBGSA-N 1 3 359.539 4.120 20 0 FIADHO CC(C)Sc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133011396 1102928336 /nfs/dbraw/zinc/92/83/36/1102928336.db2.gz SHGOWHAWPXISPN-ROUUACIJSA-N 1 3 362.583 4.339 20 0 FIADHO COCCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197582 1102975579 /nfs/dbraw/zinc/97/55/79/1102975579.db2.gz GHHDWMFXPPYETF-GGAORHGYSA-N 1 3 368.521 4.027 20 0 FIADHO COCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197582 1102975584 /nfs/dbraw/zinc/97/55/84/1102975584.db2.gz GHHDWMFXPPYETF-GGAORHGYSA-N 1 3 368.521 4.027 20 0 FIADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cnc(C3CC3)nc2)cc1 ZINC000459372122 1102997760 /nfs/dbraw/zinc/99/77/60/1102997760.db2.gz TXGQRBRPAKOMSK-UHFFFAOYSA-N 1 3 372.516 4.372 20 0 FIADHO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263643 1103023667 /nfs/dbraw/zinc/02/36/67/1103023667.db2.gz DDUREAVJZFVRRR-SIKLNZKXSA-N 1 3 356.554 4.084 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000507484044 1103430617 /nfs/dbraw/zinc/43/06/17/1103430617.db2.gz IRXKAQYCTOCPCH-GNJRFXKQSA-N 1 3 356.554 4.080 20 0 FIADHO CC(C)Oc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000551778471 1103624195 /nfs/dbraw/zinc/62/41/95/1103624195.db2.gz ITGDRIZJWDDVMX-SJORKVTESA-N 1 3 368.949 4.279 20 0 FIADHO CC(C)Oc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000551778471 1103624201 /nfs/dbraw/zinc/62/42/01/1103624201.db2.gz ITGDRIZJWDDVMX-SJORKVTESA-N 1 3 368.949 4.279 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000538305433 1104126429 /nfs/dbraw/zinc/12/64/29/1104126429.db2.gz SZOYQYMZUJKQME-GOSISDBHSA-N 1 3 360.590 4.194 20 0 FIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000538305433 1104126431 /nfs/dbraw/zinc/12/64/31/1104126431.db2.gz SZOYQYMZUJKQME-GOSISDBHSA-N 1 3 360.590 4.194 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000520203315 1104170793 /nfs/dbraw/zinc/17/07/93/1104170793.db2.gz XCSBFXJNZTXZOZ-ROUUACIJSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000520203315 1104170801 /nfs/dbraw/zinc/17/08/01/1104170801.db2.gz XCSBFXJNZTXZOZ-ROUUACIJSA-N 1 3 362.521 4.331 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000520205051 1104171315 /nfs/dbraw/zinc/17/13/15/1104171315.db2.gz QYSKMRGMVFLBLH-HNNXBMFYSA-N 1 3 369.347 4.202 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000520205051 1104171320 /nfs/dbraw/zinc/17/13/20/1104171320.db2.gz QYSKMRGMVFLBLH-HNNXBMFYSA-N 1 3 369.347 4.202 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394326 1104327807 /nfs/dbraw/zinc/32/78/07/1104327807.db2.gz OHRBHWPSYDOZFQ-ALKREAHSSA-N 1 3 350.453 4.298 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441394326 1104327817 /nfs/dbraw/zinc/32/78/17/1104327817.db2.gz OHRBHWPSYDOZFQ-ALKREAHSSA-N 1 3 350.453 4.298 20 0 FIADHO COC1(c2ccccc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994399 1104491018 /nfs/dbraw/zinc/49/10/18/1104491018.db2.gz CNIMYOGHRWQUSK-CBQGHPETSA-N 1 3 354.538 4.030 20 0 FIADHO COC1(c2ccccc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994399 1104491027 /nfs/dbraw/zinc/49/10/27/1104491027.db2.gz CNIMYOGHRWQUSK-CBQGHPETSA-N 1 3 354.538 4.030 20 0 FIADHO COc1ccc(C[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168004217 1105027780 /nfs/dbraw/zinc/02/77/80/1105027780.db2.gz RRGSYKYVSLLVTF-JYEDNEFCSA-N 1 3 368.565 4.355 20 0 FIADHO COc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001168004217 1105027785 /nfs/dbraw/zinc/02/77/85/1105027785.db2.gz RRGSYKYVSLLVTF-JYEDNEFCSA-N 1 3 368.565 4.355 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@H](NC[C@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152394483 1105075547 /nfs/dbraw/zinc/07/55/47/1105075547.db2.gz QEVKVYHOLCHCOX-CRAIPNDOSA-N 1 3 353.535 4.261 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@H](NC[C@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394483 1105075555 /nfs/dbraw/zinc/07/55/55/1105075555.db2.gz QEVKVYHOLCHCOX-CRAIPNDOSA-N 1 3 353.535 4.261 20 0 FIADHO Brc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192922410 1106903071 /nfs/dbraw/zinc/90/30/71/1106903071.db2.gz GSNKYEJAHKIPEM-OAHLLOKOSA-N 1 3 365.340 4.122 20 0 FIADHO Clc1c2ccccc2sc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239960 1106922315 /nfs/dbraw/zinc/92/23/15/1106922315.db2.gz JHFCUWPFZKQWTL-HNNXBMFYSA-N 1 3 364.942 4.145 20 0 FIADHO CC(CN1CCC[C@]2(CCSC2)C1)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980251 1107411708 /nfs/dbraw/zinc/41/17/08/1107411708.db2.gz QXCVPTKGQGGVFZ-PMACEKPBSA-N 1 3 368.656 4.061 20 0 FIADHO CC(CN1CCC[C@]2(CCSC2)C1)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980251 1107411714 /nfs/dbraw/zinc/41/17/14/1107411714.db2.gz QXCVPTKGQGGVFZ-PMACEKPBSA-N 1 3 368.656 4.061 20 0 FIADHO C[C@@H](CNC1CC([NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000475566001 1107753010 /nfs/dbraw/zinc/75/30/10/1107753010.db2.gz GACHJSOBUXUIQW-NNGSBXSVSA-N 1 3 351.332 4.159 20 0 FIADHO FC(F)(F)C[C@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093556 /nfs/dbraw/zinc/09/35/56/1108093556.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093571 /nfs/dbraw/zinc/09/35/71/1108093571.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@H]1CC[N@@H+](C/C=C/CN2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093586 /nfs/dbraw/zinc/09/35/86/1108093586.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@H]1CC[N@H+](C/C=C/CN2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689650 1108093598 /nfs/dbraw/zinc/09/35/98/1108093598.db2.gz GPEXYPOOJRBXIA-CZMZKRSCSA-N 1 3 358.370 4.091 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453164091 1108235010 /nfs/dbraw/zinc/23/50/10/1108235010.db2.gz QQDZWZGEDVSFGY-PWRODBHTSA-N 1 3 362.945 4.149 20 0 FIADHO CCC1(CN[C@@H](C)c2nccnc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000446924580 1109390738 /nfs/dbraw/zinc/39/07/38/1109390738.db2.gz HSHWKAQMBUYYFO-IBGZPJMESA-N 1 3 352.526 4.128 20 0 FIADHO CO[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000525696285 1109480727 /nfs/dbraw/zinc/48/07/27/1109480727.db2.gz RTTIUYZHGVEWJF-NRFANRHFSA-N 1 3 358.913 4.282 20 0 FIADHO CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000447546303 1109574945 /nfs/dbraw/zinc/57/49/45/1109574945.db2.gz USWDOJDHIOLLCA-LRSLUSHPSA-N 1 3 369.578 4.136 20 0 FIADHO Cc1cc([C@@H](NCC2CC[NH+](C3CC3)CC2)c2cccnc2)ccc1F ZINC000447556972 1109579704 /nfs/dbraw/zinc/57/97/04/1109579704.db2.gz ILEXMWXDWGTVJG-JOCHJYFZSA-N 1 3 353.485 4.083 20 0 FIADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)cc(C(F)(F)F)c1 ZINC000527635635 1109791037 /nfs/dbraw/zinc/79/10/37/1109791037.db2.gz ZDRNQSKUMUIVJY-UHFFFAOYSA-N 1 3 352.400 4.065 20 0 FIADHO C[NH+](C)CCC1CCN(Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449013587 1109954410 /nfs/dbraw/zinc/95/44/10/1109954410.db2.gz DHPWGSWCIVEXJX-UHFFFAOYSA-N 1 3 357.567 4.092 20 0 FIADHO CCc1nc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)sc1C ZINC000449117666 1109979892 /nfs/dbraw/zinc/97/98/92/1109979892.db2.gz VLZVVULMEFMUBW-KRWDZBQOSA-N 1 3 371.594 4.242 20 0 FIADHO Cc1ccccc1-c1ccccc1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449184202 1109994005 /nfs/dbraw/zinc/99/40/05/1109994005.db2.gz DLBDBQIDDYIDGK-ZEQRLZLVSA-N 1 3 364.533 4.129 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCc1cccs1)c1ccccc1O2 ZINC000538307069 1111087658 /nfs/dbraw/zinc/08/76/58/1111087658.db2.gz SIOMOZJEKGWXFN-IBGZPJMESA-N 1 3 356.535 4.259 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000539060188 1111406768 /nfs/dbraw/zinc/40/67/68/1111406768.db2.gz PZAVOMHUYCQTJP-RZAIGCCYSA-N 1 3 357.325 4.022 20 0 FIADHO COc1ccc(-c2csc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000552047582 1111557071 /nfs/dbraw/zinc/55/70/71/1111557071.db2.gz RFENYWWNEVJWJT-NJDAHSKKSA-N 1 3 356.535 4.386 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464292 1112034679 /nfs/dbraw/zinc/03/46/79/1112034679.db2.gz LPCSBUDWUKUGQD-FPOVZHCZSA-N 1 3 360.505 4.045 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464292 1112034684 /nfs/dbraw/zinc/03/46/84/1112034684.db2.gz LPCSBUDWUKUGQD-FPOVZHCZSA-N 1 3 360.505 4.045 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000479547085 1112065188 /nfs/dbraw/zinc/06/51/88/1112065188.db2.gz APHWUFLCDWDFQA-HNNXBMFYSA-N 1 3 369.347 4.059 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000479547085 1112065190 /nfs/dbraw/zinc/06/51/90/1112065190.db2.gz APHWUFLCDWDFQA-HNNXBMFYSA-N 1 3 369.347 4.059 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc2)CC1 ZINC000480236510 1112344714 /nfs/dbraw/zinc/34/47/14/1112344714.db2.gz ZSAHCEFXEDQYSU-KRWDZBQOSA-N 1 3 371.491 4.035 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000480769627 1112587770 /nfs/dbraw/zinc/58/77/70/1112587770.db2.gz IUXATHAITYZXSU-HXUWFJFHSA-N 1 3 367.537 4.157 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480810378 1112615555 /nfs/dbraw/zinc/61/55/55/1112615555.db2.gz DYVQUYMOWXFHPL-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480810378 1112615565 /nfs/dbraw/zinc/61/55/65/1112615565.db2.gz DYVQUYMOWXFHPL-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc(C)c1F ZINC000480876869 1112651024 /nfs/dbraw/zinc/65/10/24/1112651024.db2.gz IBARZDCGCRHUBT-IBGZPJMESA-N 1 3 369.528 4.041 20 0 FIADHO COc1ccc2c(c1)[C@H](NC1CC[NH+](Cc3ccccc3C)CC1)CC2 ZINC000481331298 1112903221 /nfs/dbraw/zinc/90/32/21/1112903221.db2.gz IPIWYCXPQVQAOB-HSZRJFAPSA-N 1 3 350.506 4.245 20 0 FIADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732136 1113059043 /nfs/dbraw/zinc/05/90/43/1113059043.db2.gz DWZRYNCQVUZFRU-DLBZAZTESA-N 1 3 355.295 4.113 20 0 FIADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1OC ZINC000482433638 1113252970 /nfs/dbraw/zinc/25/29/70/1113252970.db2.gz CWKVAGBFXQDVDK-IRLDBZIGSA-N 1 3 352.522 4.301 20 0 FIADHO COc1ccc(C[N@H+](CCCN2CCCCC2)CCc2ccccn2)cc1 ZINC000483072620 1113436562 /nfs/dbraw/zinc/43/65/62/1113436562.db2.gz WHGAKUSYAQYXFQ-UHFFFAOYSA-N 1 3 367.537 4.011 20 0 FIADHO COc1ccc(C[N@@H+](CCCN2CCCCC2)CCc2ccccn2)cc1 ZINC000483072620 1113436565 /nfs/dbraw/zinc/43/65/65/1113436565.db2.gz WHGAKUSYAQYXFQ-UHFFFAOYSA-N 1 3 367.537 4.011 20 0 FIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000162282543 1113451173 /nfs/dbraw/zinc/45/11/73/1113451173.db2.gz WUHKDOAAPFKCEU-IBGZPJMESA-N 1 3 353.510 4.187 20 0 FIADHO CC(C)N(C)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000483257305 1113475013 /nfs/dbraw/zinc/47/50/13/1113475013.db2.gz GZDUVAZNBIWNDI-UHFFFAOYSA-N 1 3 358.574 4.014 20 0 FIADHO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486381620 1113557067 /nfs/dbraw/zinc/55/70/67/1113557067.db2.gz YFHZXQZYVIZTLJ-LPHOPBHVSA-N 1 3 355.551 4.411 20 0 FIADHO COc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000486522132 1113587685 /nfs/dbraw/zinc/58/76/85/1113587685.db2.gz YCJRZYCGTHPXMR-AZUAARDMSA-N 1 3 368.521 4.012 20 0 FIADHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000486521725 1113590270 /nfs/dbraw/zinc/59/02/70/1113590270.db2.gz XAIMUVYCQQSQBA-FXAWDEMLSA-N 1 3 370.562 4.417 20 0 FIADHO C[C@H](NCc1cc2ccc(F)cc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486708704 1113627140 /nfs/dbraw/zinc/62/71/40/1113627140.db2.gz KDCLBLUVLKJJPN-QFBILLFUSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H](NCc1cc2ccc(F)cc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708704 1113627141 /nfs/dbraw/zinc/62/71/41/1113627141.db2.gz KDCLBLUVLKJJPN-QFBILLFUSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486708704 1113627146 /nfs/dbraw/zinc/62/71/46/1113627146.db2.gz KDCLBLUVLKJJPN-QFBILLFUSA-N 1 3 351.469 4.307 20 0 FIADHO Clc1csc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000486943875 1113681254 /nfs/dbraw/zinc/68/12/54/1113681254.db2.gz YFFPBXHNZXTVKZ-UHFFFAOYSA-N 1 3 363.958 4.094 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000488377941 1113918002 /nfs/dbraw/zinc/91/80/02/1113918002.db2.gz TZCIYARIBCKWDF-UHFFFAOYSA-N 1 3 353.510 4.428 20 0 FIADHO C[NH+](C)CCCCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000490151166 1114218939 /nfs/dbraw/zinc/21/89/39/1114218939.db2.gz POUPIAIDKCLTKQ-OAQYLSRUSA-N 1 3 374.912 4.132 20 0 FIADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(CN4CCCC4)c3)ccc21 ZINC000456292733 1116174835 /nfs/dbraw/zinc/17/48/35/1116174835.db2.gz ZUAPZJLJSHFLDP-QFIPXVFZSA-N 1 3 363.505 4.084 20 0 FIADHO Cn1nccc1-c1ccccc1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000509702284 1116228752 /nfs/dbraw/zinc/22/87/52/1116228752.db2.gz YUGXWBXBMVVSAW-UHFFFAOYSA-N 1 3 374.532 4.363 20 0 FIADHO CCCn1nc(C)c(C[N@H+](CC)C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000539863339 1116392713 /nfs/dbraw/zinc/39/27/13/1116392713.db2.gz WHZCKLNNDJEYDM-QFIPXVFZSA-N 1 3 368.569 4.254 20 0 FIADHO CCCn1nc(C)c(C[N@@H+](CC)C[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000539863339 1116392715 /nfs/dbraw/zinc/39/27/15/1116392715.db2.gz WHZCKLNNDJEYDM-QFIPXVFZSA-N 1 3 368.569 4.254 20 0 FIADHO Oc1cccc2c1CCC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000462812258 1117782352 /nfs/dbraw/zinc/78/23/52/1117782352.db2.gz GZEUSWQQICTARQ-JOCHJYFZSA-N 1 3 366.505 4.034 20 0 FIADHO CC[NH+](CC)C[C@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463096081 1117964147 /nfs/dbraw/zinc/96/41/47/1117964147.db2.gz GPQJYQDSMDRRMS-HXUWFJFHSA-N 1 3 356.558 4.179 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CCN1Cc1ccccc1 ZINC000463083733 1117965608 /nfs/dbraw/zinc/96/56/08/1117965608.db2.gz LTTKEFGNQBZSRI-YFXJRYMSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H](c2ccc(F)cc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083733 1117965611 /nfs/dbraw/zinc/96/56/11/1117965611.db2.gz LTTKEFGNQBZSRI-YFXJRYMSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H](c2ccc(F)cc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083733 1117965614 /nfs/dbraw/zinc/96/56/14/1117965614.db2.gz LTTKEFGNQBZSRI-YFXJRYMSSA-N 1 3 369.528 4.071 20 0 FIADHO CC(C)[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000540315366 1117980496 /nfs/dbraw/zinc/98/04/96/1117980496.db2.gz DNGUCWMFJDQNOR-AABGKKOBSA-N 1 3 350.934 4.005 20 0 FIADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463138932 1117986795 /nfs/dbraw/zinc/98/67/95/1117986795.db2.gz FOHSSHHHXRJPBD-GOSISDBHSA-N 1 3 363.977 4.159 20 0 FIADHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540475942 1118077354 /nfs/dbraw/zinc/07/73/54/1118077354.db2.gz WOHNZSQBQKPVMS-VQIMIIECSA-N 1 3 356.535 4.257 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1O2 ZINC000540494468 1118091848 /nfs/dbraw/zinc/09/18/48/1118091848.db2.gz BJBOVKLIJHTSSG-IBGZPJMESA-N 1 3 372.459 4.085 20 0 FIADHO C[NH+]1CCC(NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000492131054 1119030358 /nfs/dbraw/zinc/03/03/58/1119030358.db2.gz NFPFKHSCRLICCF-NRFANRHFSA-N 1 3 358.913 4.282 20 0 FIADHO COCc1cccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000312048549 1119397614 /nfs/dbraw/zinc/39/76/14/1119397614.db2.gz AVZHJKGLYPITOH-HSZRJFAPSA-N 1 3 352.522 4.225 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916679 1119506091 /nfs/dbraw/zinc/50/60/91/1119506091.db2.gz MCLNFWTYHCWWTE-PBHICJAKSA-N 1 3 351.332 4.066 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916679 1119506096 /nfs/dbraw/zinc/50/60/96/1119506096.db2.gz MCLNFWTYHCWWTE-PBHICJAKSA-N 1 3 351.332 4.066 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493935289 1119511643 /nfs/dbraw/zinc/51/16/43/1119511643.db2.gz HZUOJBCBPKFGMR-LSJNQWAISA-N 1 3 365.359 4.405 20 0 FIADHO Cc1nc2ccc(CNCc3ccc(OCCC[NH+](C)C)cc3)cc2s1 ZINC000494340528 1119828448 /nfs/dbraw/zinc/82/84/48/1119828448.db2.gz UCTQQRMNHFUSPL-UHFFFAOYSA-N 1 3 369.534 4.225 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000189257356 1119877330 /nfs/dbraw/zinc/87/73/30/1119877330.db2.gz WQNGHFOKUFLRJR-NVFTXBOLSA-N 1 3 356.554 4.082 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374495 1119981137 /nfs/dbraw/zinc/98/11/37/1119981137.db2.gz XRAFDDDNGBPDSX-CTNGQTDRSA-N 1 3 360.505 4.045 20 0 FIADHO CN(c1ccccc1CNCc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000191683154 1119989813 /nfs/dbraw/zinc/98/98/13/1119989813.db2.gz WXAQGAKYMXSSIE-UHFFFAOYSA-N 1 3 363.549 4.384 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000192795651 1120084082 /nfs/dbraw/zinc/08/40/82/1120084082.db2.gz RSXFJLRMGQQENN-OAQYLSRUSA-N 1 3 371.594 4.038 20 0 FIADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000153388555 1120582857 /nfs/dbraw/zinc/58/28/57/1120582857.db2.gz UDHAUHODOJHADV-OAQYLSRUSA-N 1 3 368.521 4.193 20 0 FIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cc(Br)ncc1F ZINC000762737734 1120956710 /nfs/dbraw/zinc/95/67/10/1120956710.db2.gz TZDCMWDJZAQWBN-AWEZNQCLSA-N 1 3 372.326 4.146 20 0 FIADHO c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)c2)cc1 ZINC000236738777 1120969563 /nfs/dbraw/zinc/96/95/63/1120969563.db2.gz GZVFDGSOIVFTGP-QFIPXVFZSA-N 1 3 364.533 4.272 20 0 FIADHO C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001168496336 1120997358 /nfs/dbraw/zinc/99/73/58/1120997358.db2.gz IQDKSVPVQVIASM-LJQANCHMSA-N 1 3 352.497 4.355 20 0 FIADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000670272341 1121298663 /nfs/dbraw/zinc/29/86/63/1121298663.db2.gz VIQWGKNOIHFAJF-SFHVURJKSA-N 1 3 370.459 4.182 20 0 FIADHO CCC(CC)N1CCC([NH2+][C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168608277 1121970748 /nfs/dbraw/zinc/97/07/48/1121970748.db2.gz CRNDTMNGIZNDQI-UGKGYDQZSA-N 1 3 360.542 4.158 20 0 FIADHO CC1CC[NH+](Cc2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000917000838 1121996388 /nfs/dbraw/zinc/99/63/88/1121996388.db2.gz YIBVQBSGUGHGBH-OAQYLSRUSA-N 1 3 374.475 4.020 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]2CCC[C@@H]21 ZINC000556869704 1123150581 /nfs/dbraw/zinc/15/05/81/1123150581.db2.gz ANBHXMBKESMCKQ-FUDKSRODSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]2CCC[C@@H]21 ZINC000556869704 1123150586 /nfs/dbraw/zinc/15/05/86/1123150586.db2.gz ANBHXMBKESMCKQ-FUDKSRODSA-N 1 3 374.532 4.047 20 0 FIADHO CC(C)CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000556889923 1123177340 /nfs/dbraw/zinc/17/73/40/1123177340.db2.gz KVFYDOCECGMMFE-FCHUYYIVSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000556889923 1123177346 /nfs/dbraw/zinc/17/73/46/1123177346.db2.gz KVFYDOCECGMMFE-FCHUYYIVSA-N 1 3 356.510 4.113 20 0 FIADHO CN(c1ccccc1CNCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000132707785 1123343260 /nfs/dbraw/zinc/34/32/60/1123343260.db2.gz OCAJAUPAAGTBPS-UHFFFAOYSA-N 1 3 357.929 4.160 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1C(F)(F)F ZINC000246320374 1124445841 /nfs/dbraw/zinc/44/58/41/1124445841.db2.gz FHMQJSWLOZRFBD-ZOCIIQOWSA-N 1 3 370.459 4.124 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847235 1124446879 /nfs/dbraw/zinc/44/68/79/1124446879.db2.gz OTESYAQCXDTKQM-BSRJHKFKSA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000542847235 1124446881 /nfs/dbraw/zinc/44/68/81/1124446881.db2.gz OTESYAQCXDTKQM-BSRJHKFKSA-N 1 3 365.521 4.206 20 0 FIADHO CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cn1 ZINC000247010071 1124581223 /nfs/dbraw/zinc/58/12/23/1124581223.db2.gz LCXFYMDEHNJAKJ-HKUYNNGSSA-N 1 3 369.509 4.093 20 0 FIADHO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCN(CC)C[C@@H]3C)ccn2)cc1 ZINC000247207978 1124598975 /nfs/dbraw/zinc/59/89/75/1124598975.db2.gz WTXSMVXPNVYEBO-LAUBAEHRSA-N 1 3 369.509 4.093 20 0 FIADHO CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCN(CC)C[C@@H]3C)ccn2)cc1 ZINC000247207989 1124599374 /nfs/dbraw/zinc/59/93/74/1124599374.db2.gz WTXSMVXPNVYEBO-UWJYYQICSA-N 1 3 369.509 4.093 20 0 FIADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000248120076 1124743007 /nfs/dbraw/zinc/74/30/07/1124743007.db2.gz NFYADQVIDAVOQZ-YOEHRIQHSA-N 1 3 359.514 4.258 20 0 FIADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000248120076 1124743011 /nfs/dbraw/zinc/74/30/11/1124743011.db2.gz NFYADQVIDAVOQZ-YOEHRIQHSA-N 1 3 359.514 4.258 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152686 1124747978 /nfs/dbraw/zinc/74/79/78/1124747978.db2.gz QXOKNLLGGJDSOO-YYFZDKIDSA-N 1 3 358.507 4.211 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 ZINC000248152686 1124747980 /nfs/dbraw/zinc/74/79/80/1124747980.db2.gz QXOKNLLGGJDSOO-YYFZDKIDSA-N 1 3 358.507 4.211 20 0 FIADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000248395277 1124760675 /nfs/dbraw/zinc/76/06/75/1124760675.db2.gz GEMFAJHZLWHZTL-BJLQDIEVSA-N 1 3 352.526 4.176 20 0 FIADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000248395277 1124760679 /nfs/dbraw/zinc/76/06/79/1124760679.db2.gz GEMFAJHZLWHZTL-BJLQDIEVSA-N 1 3 352.526 4.176 20 0 FIADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000248412046 1124764566 /nfs/dbraw/zinc/76/45/66/1124764566.db2.gz ZYRFVYKYAJVYOM-YFVAEKQCSA-N 1 3 362.533 4.016 20 0 FIADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248409050 1124764938 /nfs/dbraw/zinc/76/49/38/1124764938.db2.gz WGQFNLPYSZFWGF-YPAWHYETSA-N 1 3 356.554 4.084 20 0 FIADHO CC1(C)Cc2occc2[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248438888 1124769377 /nfs/dbraw/zinc/76/93/77/1124769377.db2.gz ICXIYWTURDPWRT-FPOVZHCZSA-N 1 3 368.521 4.040 20 0 FIADHO CC1(C)Cc2occc2[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248438888 1124769385 /nfs/dbraw/zinc/76/93/85/1124769385.db2.gz ICXIYWTURDPWRT-FPOVZHCZSA-N 1 3 368.521 4.040 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090524216 1125001304 /nfs/dbraw/zinc/00/13/04/1125001304.db2.gz JXFBYJMUEAABCV-DBVUQKKJSA-N 1 3 356.510 4.160 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000091285053 1125062424 /nfs/dbraw/zinc/06/24/24/1125062424.db2.gz VOIZYOACUCSSJW-LJQANCHMSA-N 1 3 370.368 4.062 20 0 FIADHO Fc1ccc([C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000091343529 1125067008 /nfs/dbraw/zinc/06/70/08/1125067008.db2.gz GPQFBWPNINIGDL-VGSWGCGISA-N 1 3 360.517 4.148 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000603937851 568184322 /nfs/dbraw/zinc/18/43/22/568184322.db2.gz IXVXELFZWREWBN-UHFFFAOYSA-N 1 3 352.526 4.088 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000603937851 568184323 /nfs/dbraw/zinc/18/43/23/568184323.db2.gz IXVXELFZWREWBN-UHFFFAOYSA-N 1 3 352.526 4.088 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)[C@H](C)C1 ZINC000604418258 568276298 /nfs/dbraw/zinc/27/62/98/568276298.db2.gz NZWMTEKFNOFWCZ-KNQAVFIVSA-N 1 3 370.537 4.482 20 0 FIADHO [NH3+]Cc1ccc(CN[C@H]2CCc3c2cc(Br)cc3Cl)cc1 ZINC000563154069 568305150 /nfs/dbraw/zinc/30/51/50/568305150.db2.gz JEMDBOWZQMQTHV-KRWDZBQOSA-N 1 3 365.702 4.338 20 0 FIADHO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644120 1125471160 /nfs/dbraw/zinc/47/11/60/1125471160.db2.gz HWXPMZNUASFROC-FXAWDEMLSA-N 1 3 368.521 4.285 20 0 FIADHO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644120 1125471165 /nfs/dbraw/zinc/47/11/65/1125471165.db2.gz HWXPMZNUASFROC-FXAWDEMLSA-N 1 3 368.521 4.285 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)cc1CN1CCCCC1 ZINC000182851903 1125656632 /nfs/dbraw/zinc/65/66/32/1125656632.db2.gz DZDJFYFGCUZVDB-GOSISDBHSA-N 1 3 368.521 4.024 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)ccc1OC ZINC000182998537 1125714459 /nfs/dbraw/zinc/71/44/59/1125714459.db2.gz LEFFIMZILKWXRF-CVEARBPZSA-N 1 3 373.541 4.424 20 0 FIADHO COc1ccc(C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000153157010 1125748725 /nfs/dbraw/zinc/74/87/25/1125748725.db2.gz FNUSUBIBLOCQBC-UHFFFAOYSA-N 1 3 374.569 4.368 20 0 FIADHO COc1ccc(C(C)(C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000153157010 1125748730 /nfs/dbraw/zinc/74/87/30/1125748730.db2.gz FNUSUBIBLOCQBC-UHFFFAOYSA-N 1 3 374.569 4.368 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CSCCS2)ccc1OC ZINC000183093642 1125750008 /nfs/dbraw/zinc/75/00/08/1125750008.db2.gz WXNKWBOJXIGAMH-QAPCUYQASA-N 1 3 368.612 4.036 20 0 FIADHO C[C@@H](C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1)OCc1ccccc1 ZINC001208702183 1080091552 /nfs/dbraw/zinc/09/15/52/1080091552.db2.gz IOQJWMMMEOLCLU-NRFANRHFSA-N 1 3 364.533 4.190 20 0 FIADHO CN(Cc1ccccc1)C[C@H](C[N@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137554 1080676792 /nfs/dbraw/zinc/67/67/92/1080676792.db2.gz AMWNCJCNPFFPEC-DNQXCXABSA-N 1 3 366.549 4.403 20 0 FIADHO CN(Cc1ccccc1)C[C@H](C[N@@H+](C)C[C@H]1CCCCO1)c1ccccc1 ZINC001167137554 1080676795 /nfs/dbraw/zinc/67/67/95/1080676795.db2.gz AMWNCJCNPFFPEC-DNQXCXABSA-N 1 3 366.549 4.403 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312496250 1080877486 /nfs/dbraw/zinc/87/74/86/1080877486.db2.gz KUCQSJVCRDSFNF-BBTUJRGHSA-N 1 3 368.521 4.265 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000236864155 1080908266 /nfs/dbraw/zinc/90/82/66/1080908266.db2.gz PKDQKYUZXJKDRC-KSSFIOAISA-N 1 3 359.341 4.220 20 0 FIADHO CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000312519856 1080965322 /nfs/dbraw/zinc/96/53/22/1080965322.db2.gz OIRGYUJSQYDGPM-WIYYLYMNSA-N 1 3 368.521 4.094 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccnc1Cl ZINC000247224858 1081075605 /nfs/dbraw/zinc/07/56/05/1081075605.db2.gz XXCZDGKUCXXPGI-BRWVUGGUSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3cn4ccnc4s3)cc2)C1 ZINC001648808200 1081111834 /nfs/dbraw/zinc/11/18/34/1081111834.db2.gz DWEGYHAEONEBSH-IRXDYDNUSA-N 1 3 368.550 4.164 20 0 FIADHO Cc1ncncc1[C@H](C)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000655686758 1081114034 /nfs/dbraw/zinc/11/40/34/1081114034.db2.gz CFMJUXAEBVRHJW-KRWDZBQOSA-N 1 3 360.505 4.364 20 0 FIADHO CCC1(CN[C@H]2CCCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000655738883 1081157174 /nfs/dbraw/zinc/15/71/74/1081157174.db2.gz ZAOBNUOOCJXJNY-FQEVSTJZSA-N 1 3 352.526 4.000 20 0 FIADHO Cc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1-c1ccccc1 ZINC000655755545 1081175954 /nfs/dbraw/zinc/17/59/54/1081175954.db2.gz DVWTVOYDIZIZDE-QHCPKHFHSA-N 1 3 364.533 4.395 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000655820808 1081232111 /nfs/dbraw/zinc/23/21/11/1081232111.db2.gz LYBTVNYICCQRNX-SJORKVTESA-N 1 3 368.443 4.223 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c1 ZINC000655820808 1081232113 /nfs/dbraw/zinc/23/21/13/1081232113.db2.gz LYBTVNYICCQRNX-SJORKVTESA-N 1 3 368.443 4.223 20 0 FIADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000580095124 1081589602 /nfs/dbraw/zinc/58/96/02/1081589602.db2.gz IXNWSZLXPVXFGV-HKBOAZHASA-N 1 3 358.913 4.457 20 0 FIADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)c2ccccc21 ZINC000580218712 1081758090 /nfs/dbraw/zinc/75/80/90/1081758090.db2.gz UOSXUTKFOHCQBA-YADHBBJMSA-N 1 3 370.537 4.165 20 0 FIADHO CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312782665 1081841753 /nfs/dbraw/zinc/84/17/53/1081841753.db2.gz ASJLKICJBLSYOD-NQIIRXRSSA-N 1 3 368.521 4.094 20 0 FIADHO Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483654 1081970865 /nfs/dbraw/zinc/97/08/65/1081970865.db2.gz OPBCYJSMHOUWQX-TZIWHRDSSA-N 1 3 351.494 4.098 20 0 FIADHO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000580483654 1081970870 /nfs/dbraw/zinc/97/08/70/1081970870.db2.gz OPBCYJSMHOUWQX-TZIWHRDSSA-N 1 3 351.494 4.098 20 0 FIADHO COc1ccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656785102 1082769909 /nfs/dbraw/zinc/76/99/09/1082769909.db2.gz IKGDDYIPFQWUAX-GOSISDBHSA-N 1 3 371.550 4.030 20 0 FIADHO Fc1ccc2c(c1)[C@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CCC2 ZINC000684420957 1082896339 /nfs/dbraw/zinc/89/63/39/1082896339.db2.gz YWLPIWZHSHTHBU-HSZRJFAPSA-N 1 3 368.496 4.468 20 0 FIADHO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000510748413 1083292550 /nfs/dbraw/zinc/29/25/50/1083292550.db2.gz IEUDDIOAANQOLM-IBGZPJMESA-N 1 3 363.343 4.433 20 0 FIADHO CC(C)(C)OC(=O)C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000092566791 1083435148 /nfs/dbraw/zinc/43/51/48/1083435148.db2.gz MNDHAZRMDCFWGZ-UHFFFAOYSA-N 1 3 364.574 4.274 20 0 FIADHO CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000548483605 1083466185 /nfs/dbraw/zinc/46/61/85/1083466185.db2.gz VLXBSXCSTKXHLL-YLJYHZDGSA-N 1 3 356.485 4.225 20 0 FIADHO Cc1ccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000215636596 1083907613 /nfs/dbraw/zinc/90/76/13/1083907613.db2.gz SWIFNNVVBPMHBR-CQSZACIVSA-N 1 3 365.949 4.264 20 0 FIADHO Cc1ncsc1-c1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000657300827 1084324422 /nfs/dbraw/zinc/32/44/22/1084324422.db2.gz VCACQTQVPPGWLM-UHFFFAOYSA-N 1 3 351.519 4.470 20 0 FIADHO Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(OCC[NH+](C)C)cc1 ZINC000613274012 1084532883 /nfs/dbraw/zinc/53/28/83/1084532883.db2.gz SOSCXDCFJNSSNL-HXUWFJFHSA-N 1 3 356.510 4.332 20 0 FIADHO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000559891162 1084907403 /nfs/dbraw/zinc/90/74/03/1084907403.db2.gz SZODSNZOIKUYCN-LEWJYISDSA-N 1 3 356.554 4.084 20 0 FIADHO c1cc(Oc2ccccc2)oc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535345 1085444284 /nfs/dbraw/zinc/44/42/84/1085444284.db2.gz KNBYIXMNVBHOFK-UHFFFAOYSA-N 1 3 370.493 4.053 20 0 FIADHO C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350239 1085927236 /nfs/dbraw/zinc/92/72/36/1085927236.db2.gz NITLCHURBBOOLQ-OSDKZWGASA-N 1 3 357.325 4.273 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cnc2ccsc2c1 ZINC000162518277 1086235209 /nfs/dbraw/zinc/23/52/09/1086235209.db2.gz ILDVXCOMQRMXKJ-OAHLLOKOSA-N 1 3 355.507 4.088 20 0 FIADHO O=C(c1ccc(Cl)cc1)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662252123 1086378845 /nfs/dbraw/zinc/37/88/45/1086378845.db2.gz MDLWMARRIQDLMC-UHFFFAOYSA-N 1 3 368.908 4.081 20 0 FIADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328004 1086418123 /nfs/dbraw/zinc/41/81/23/1086418123.db2.gz XOPYXSLRPDQKTG-HNNXBMFYSA-N 1 3 372.944 4.471 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000511993392 1086599593 /nfs/dbraw/zinc/59/95/93/1086599593.db2.gz XIMQYFAOZPKLHL-WMUCXUQKSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000511993392 1086599601 /nfs/dbraw/zinc/59/96/01/1086599601.db2.gz XIMQYFAOZPKLHL-WMUCXUQKSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417745 1086741250 /nfs/dbraw/zinc/74/12/50/1086741250.db2.gz OCUPKKHYLDFVPP-HZPDHXFCSA-N 1 3 372.525 4.195 20 0 FIADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417745 1086741253 /nfs/dbraw/zinc/74/12/53/1086741253.db2.gz OCUPKKHYLDFVPP-HZPDHXFCSA-N 1 3 372.525 4.195 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425024 1086750464 /nfs/dbraw/zinc/75/04/64/1086750464.db2.gz SPUDTVTZEZPAMZ-OXJNMPFZSA-N 1 3 350.934 4.272 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425024 1086750473 /nfs/dbraw/zinc/75/04/73/1086750473.db2.gz SPUDTVTZEZPAMZ-OXJNMPFZSA-N 1 3 350.934 4.272 20 0 FIADHO c1c2cnccc2oc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772133 1086815038 /nfs/dbraw/zinc/81/50/38/1086815038.db2.gz KBXGAALNMIRDLT-FQEVSTJZSA-N 1 3 361.489 4.220 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2ccc(OC)c(OC)c2)CC1)CC1CC1 ZINC000536142714 1086988888 /nfs/dbraw/zinc/98/88/88/1086988888.db2.gz ZWTPZUXYIKXKHR-UHFFFAOYSA-N 1 3 360.542 4.038 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2ccc(OC)c(OC)c2)CC1)CC1CC1 ZINC000536142714 1086988889 /nfs/dbraw/zinc/98/88/89/1086988889.db2.gz ZWTPZUXYIKXKHR-UHFFFAOYSA-N 1 3 360.542 4.038 20 0 FIADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898774 1087021659 /nfs/dbraw/zinc/02/16/59/1087021659.db2.gz LJRWUEMETQJCCI-MRXNPFEDSA-N 1 3 350.478 4.289 20 0 FIADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccc(F)c(F)c3)C2)s1 ZINC000583898774 1087021664 /nfs/dbraw/zinc/02/16/64/1087021664.db2.gz LJRWUEMETQJCCI-MRXNPFEDSA-N 1 3 350.478 4.289 20 0 FIADHO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000151356699 1087094847 /nfs/dbraw/zinc/09/48/47/1087094847.db2.gz UQGNCACAKYQVQH-NSHDSACASA-N 1 3 365.732 4.144 20 0 FIADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130472 1087123352 /nfs/dbraw/zinc/12/33/52/1087123352.db2.gz DTFVJZVPHINWAV-KGLIPLIRSA-N 1 3 357.325 4.145 20 0 FIADHO Fc1cccc(OCc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000647325342 1087220286 /nfs/dbraw/zinc/22/02/86/1087220286.db2.gz CNJQKMAJOMVXIR-UHFFFAOYSA-N 1 3 354.469 4.121 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cc3cnccc3o2)cc1 ZINC000657839682 1087263234 /nfs/dbraw/zinc/26/32/34/1087263234.db2.gz YRRGLILZYPGHLZ-QGZVFWFLSA-N 1 3 367.493 4.399 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845362 1087291664 /nfs/dbraw/zinc/29/16/64/1087291664.db2.gz NJAPFPCXTFDFPG-IRXDYDNUSA-N 1 3 356.510 4.240 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845362 1087291667 /nfs/dbraw/zinc/29/16/67/1087291667.db2.gz NJAPFPCXTFDFPG-IRXDYDNUSA-N 1 3 356.510 4.240 20 0 FIADHO COCC[NH+]1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000137712989 1087598962 /nfs/dbraw/zinc/59/89/62/1087598962.db2.gz ZZORXACNBGYHOU-UHFFFAOYSA-N 1 3 358.913 4.207 20 0 FIADHO C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318404 1087688346 /nfs/dbraw/zinc/68/83/46/1087688346.db2.gz UCEBUKCDPORQEE-FXAWDEMLSA-N 1 3 354.542 4.192 20 0 FIADHO C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318404 1087688347 /nfs/dbraw/zinc/68/83/47/1087688347.db2.gz UCEBUKCDPORQEE-FXAWDEMLSA-N 1 3 354.542 4.192 20 0 FIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccnc4ccccc34)CC2)C1 ZINC000658125362 1087732538 /nfs/dbraw/zinc/73/25/38/1087732538.db2.gz BFJJAIOGLJLVSH-RXVVDRJESA-N 1 3 351.538 4.410 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143217 1087735556 /nfs/dbraw/zinc/73/55/56/1087735556.db2.gz XSORSJHFQDGXHX-XLIONFOSSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143217 1087735562 /nfs/dbraw/zinc/73/55/62/1087735562.db2.gz XSORSJHFQDGXHX-XLIONFOSSA-N 1 3 370.562 4.216 20 0 FIADHO O[C@@H]1CC[N@H+](Cc2ccc(CNC3c4ccccc4-c4ccccc43)cc2)C1 ZINC000658138385 1087743846 /nfs/dbraw/zinc/74/38/46/1087743846.db2.gz MRFJWKSSRJURMO-HXUWFJFHSA-N 1 3 370.496 4.113 20 0 FIADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNC3c4ccccc4-c4ccccc43)cc2)C1 ZINC000658138385 1087743862 /nfs/dbraw/zinc/74/38/62/1087743862.db2.gz MRFJWKSSRJURMO-HXUWFJFHSA-N 1 3 370.496 4.113 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)c1ccccc1 ZINC000658166141 1087761707 /nfs/dbraw/zinc/76/17/07/1087761707.db2.gz MTOPJXNTJGFWIR-IBGZPJMESA-N 1 3 351.538 4.250 20 0 FIADHO CCOc1ccccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168132 1087764356 /nfs/dbraw/zinc/76/43/56/1087764356.db2.gz VVVSQRXXPZKTAL-GOSISDBHSA-N 1 3 353.510 4.043 20 0 FIADHO CCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OCC(C)C ZINC000414813840 1088215958 /nfs/dbraw/zinc/21/59/58/1088215958.db2.gz UQNCIQVQIPCZCG-QGZVFWFLSA-N 1 3 356.510 4.430 20 0 FIADHO Cc1nc(COc2ccc(CNCc3ccc([C@H](C)[NH3+])cc3)cc2)cs1 ZINC000414812306 1088221863 /nfs/dbraw/zinc/22/18/63/1088221863.db2.gz QZXZZXGONDWKSW-HNNXBMFYSA-N 1 3 367.518 4.340 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000467314250 1088364916 /nfs/dbraw/zinc/36/49/16/1088364916.db2.gz JXWLXQRZHVCTLL-OAQYLSRUSA-N 1 3 356.485 4.453 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514044 1088708192 /nfs/dbraw/zinc/70/81/92/1088708192.db2.gz OEUDNMIWEYKUFT-UYAOXDASSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514044 1088708197 /nfs/dbraw/zinc/70/81/97/1088708197.db2.gz OEUDNMIWEYKUFT-UYAOXDASSA-N 1 3 350.506 4.184 20 0 FIADHO CN(C/C=C/C[N@H+](C)Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000613592052 1088749825 /nfs/dbraw/zinc/74/98/25/1088749825.db2.gz ZGQQQZXHYHJLFL-ONEGZZNKSA-N 1 3 366.402 4.363 20 0 FIADHO CN(C/C=C/C[N@@H+](C)Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000613592052 1088749838 /nfs/dbraw/zinc/74/98/38/1088749838.db2.gz ZGQQQZXHYHJLFL-ONEGZZNKSA-N 1 3 366.402 4.363 20 0 FIADHO CCOCOc1ccc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000782960920 1088751478 /nfs/dbraw/zinc/75/14/78/1088751478.db2.gz VTGPSCFDUKEVJM-LJQANCHMSA-N 1 3 368.521 4.375 20 0 FIADHO CCOCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000782969812 1088772406 /nfs/dbraw/zinc/77/24/06/1088772406.db2.gz XNPOGKFTAGYDJF-SIKLNZKXSA-N 1 3 368.521 4.060 20 0 FIADHO [NH3+]CCC[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1 ZINC000415053354 1089088726 /nfs/dbraw/zinc/08/87/26/1089088726.db2.gz MNNSALUTZKGAPT-QGZVFWFLSA-N 1 3 370.390 4.337 20 0 FIADHO COc1ccc(Br)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415056641 1089101385 /nfs/dbraw/zinc/10/13/85/1089101385.db2.gz QARLIRMHKRWUJN-QGZVFWFLSA-N 1 3 363.299 4.028 20 0 FIADHO CCOc1cc(CN[C@H](CCC[NH3+])c2ccccc2)cc(Cl)c1OC ZINC000415063186 1089113228 /nfs/dbraw/zinc/11/32/28/1089113228.db2.gz HAMDVCOZXODFGS-GOSISDBHSA-N 1 3 362.901 4.317 20 0 FIADHO COc1ccc(Oc2ccc(C[N@@H+]3CC[C@]4(CCN(C)C4)C3)cc2)cc1 ZINC000430124690 1089365930 /nfs/dbraw/zinc/36/59/30/1089365930.db2.gz LHQNFQYFTHDNHM-QFIPXVFZSA-N 1 3 352.478 4.015 20 0 FIADHO COc1ccc(Oc2ccc(C[N@H+]3CC[C@]4(CCN(C)C4)C3)cc2)cc1 ZINC000430124690 1089365951 /nfs/dbraw/zinc/36/59/51/1089365951.db2.gz LHQNFQYFTHDNHM-QFIPXVFZSA-N 1 3 352.478 4.015 20 0 FIADHO c1cc(CN(Cc2ccc3ncccc3c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425096 1089642252 /nfs/dbraw/zinc/64/22/52/1089642252.db2.gz BTSHDNZLXSUHST-OAQYLSRUSA-N 1 3 363.530 4.441 20 0 FIADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001625891371 1089758163 /nfs/dbraw/zinc/75/81/63/1089758163.db2.gz HGGKQQIHKCNGEN-NQIIRXRSSA-N 1 3 357.542 4.120 20 0 FIADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001625891371 1089758179 /nfs/dbraw/zinc/75/81/79/1089758179.db2.gz HGGKQQIHKCNGEN-NQIIRXRSSA-N 1 3 357.542 4.120 20 0 FIADHO FC(F)(F)[C@H]1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)C[C@@H](C(F)(F)F)C1 ZINC000925527635 1090270392 /nfs/dbraw/zinc/27/03/92/1090270392.db2.gz WAKSJMKUYJUCGV-LOWDOPEQSA-N 1 3 358.370 4.160 20 0 FIADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163947942 1090285207 /nfs/dbraw/zinc/28/52/07/1090285207.db2.gz RMFMPFYOSOYWII-KRWDZBQOSA-N 1 3 374.550 4.089 20 0 FIADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163947942 1090285212 /nfs/dbraw/zinc/28/52/12/1090285212.db2.gz RMFMPFYOSOYWII-KRWDZBQOSA-N 1 3 374.550 4.089 20 0 FIADHO Fc1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000363863364 1090418030 /nfs/dbraw/zinc/41/80/30/1090418030.db2.gz KQVDCPTWPUDMDJ-UNMCSNQZSA-N 1 3 360.517 4.433 20 0 FIADHO C[C@@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124448 1091052771 /nfs/dbraw/zinc/05/27/71/1091052771.db2.gz NSNYGCLCRVTKBK-DOTOQJQBSA-N 1 3 354.460 4.473 20 0 FIADHO C[C@@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124448 1091052777 /nfs/dbraw/zinc/05/27/77/1091052777.db2.gz NSNYGCLCRVTKBK-DOTOQJQBSA-N 1 3 354.460 4.473 20 0 FIADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390525826 1091183010 /nfs/dbraw/zinc/18/30/10/1091183010.db2.gz IYXDJGQIIOCBCY-URXFXBBRSA-N 1 3 365.565 4.009 20 0 FIADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464733 1091370207 /nfs/dbraw/zinc/37/02/07/1091370207.db2.gz CYJZDMFTAFOJMX-FUHWJXTLSA-N 1 3 360.448 4.461 20 0 FIADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464733 1091370220 /nfs/dbraw/zinc/37/02/20/1091370220.db2.gz CYJZDMFTAFOJMX-FUHWJXTLSA-N 1 3 360.448 4.461 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(-c3cnn(C)c3)s2)c1 ZINC000509533707 1092342349 /nfs/dbraw/zinc/34/23/49/1092342349.db2.gz SXRSWLWLZVNOEX-UHFFFAOYSA-N 1 3 368.550 4.280 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000665271634 1092421103 /nfs/dbraw/zinc/42/11/03/1092421103.db2.gz PMMPUFPVFVSJGG-GOUWZUTHSA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000665271634 1092421111 /nfs/dbraw/zinc/42/11/11/1092421111.db2.gz PMMPUFPVFVSJGG-GOUWZUTHSA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000665271634 1092421117 /nfs/dbraw/zinc/42/11/17/1092421117.db2.gz PMMPUFPVFVSJGG-GOUWZUTHSA-N 1 3 361.533 4.146 20 0 FIADHO CN1CCN(CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1(C)C ZINC000442880702 1092836412 /nfs/dbraw/zinc/83/64/12/1092836412.db2.gz ZHOFOTARKUVBCH-SFHVURJKSA-N 1 3 370.368 4.060 20 0 FIADHO C[C@@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C[C@@H](C)N1Cc1ccccc1 ZINC001168017514 1093151402 /nfs/dbraw/zinc/15/14/02/1093151402.db2.gz AVOOOVGUTFYMBP-UDMCKFQASA-N 1 3 355.570 4.033 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053382 1093153374 /nfs/dbraw/zinc/15/33/74/1093153374.db2.gz DLNHPEXIFYAQAU-PKOBYXMFSA-N 1 3 350.497 4.355 20 0 FIADHO CC[NH+](CC)CCOC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000443602766 1093313378 /nfs/dbraw/zinc/31/33/78/1093313378.db2.gz KPKJNINUQMKENR-HXUWFJFHSA-N 1 3 350.934 4.150 20 0 FIADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000237111753 1093987753 /nfs/dbraw/zinc/98/77/53/1093987753.db2.gz RJWDJBQATUJAEG-UHFFFAOYSA-N 1 3 368.521 4.020 20 0 FIADHO COCc1ccccc1/C=C(/C)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513337686 1094064492 /nfs/dbraw/zinc/06/44/92/1094064492.db2.gz JMDUIDIDWBMCCU-FBHQFGEZSA-N 1 3 364.533 4.348 20 0 FIADHO COCc1ccccc1/C=C(/C)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337686 1094064498 /nfs/dbraw/zinc/06/44/98/1094064498.db2.gz JMDUIDIDWBMCCU-FBHQFGEZSA-N 1 3 364.533 4.348 20 0 FIADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000509928035 1094190033 /nfs/dbraw/zinc/19/00/33/1094190033.db2.gz QGFCJRGFOKBPFB-KRWDZBQOSA-N 1 3 359.539 4.428 20 0 FIADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000509928035 1094190036 /nfs/dbraw/zinc/19/00/36/1094190036.db2.gz QGFCJRGFOKBPFB-KRWDZBQOSA-N 1 3 359.539 4.428 20 0 FIADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000513679421 1094264205 /nfs/dbraw/zinc/26/42/05/1094264205.db2.gz WZYLSPHOLSKMCZ-DODNOZFWSA-N 1 3 356.554 4.082 20 0 FIADHO CC[C@@H](C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501055090 1094466700 /nfs/dbraw/zinc/46/67/00/1094466700.db2.gz PZWPCXBCPGFBBL-NQIIRXRSSA-N 1 3 365.993 4.433 20 0 FIADHO Fc1ccc(C(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404006 1094696567 /nfs/dbraw/zinc/69/65/67/1094696567.db2.gz FDRAPBHRRPYMRL-LEWJYISDSA-N 1 3 356.460 4.313 20 0 FIADHO Fc1ccc(C(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404006 1094696579 /nfs/dbraw/zinc/69/65/79/1094696579.db2.gz FDRAPBHRRPYMRL-LEWJYISDSA-N 1 3 356.460 4.313 20 0 FIADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000420382944 1094907409 /nfs/dbraw/zinc/90/74/09/1094907409.db2.gz PZSGATSBQDECBN-DNVCBOLYSA-N 1 3 364.942 4.273 20 0 FIADHO NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710854 1096460166 /nfs/dbraw/zinc/46/01/66/1096460166.db2.gz GGPSXIGDVIRGDC-QPPBQGQZSA-N 1 3 374.532 4.206 20 0 FIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(-c2ccncc2)cc1 ZINC000422754796 1096484079 /nfs/dbraw/zinc/48/40/79/1096484079.db2.gz ATTZZNFQFNTTNW-VWNXMTODSA-N 1 3 371.484 4.094 20 0 FIADHO CC(C)(C)c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784242 1096489808 /nfs/dbraw/zinc/48/98/08/1096489808.db2.gz PKCISXYXRLDGBO-NZQKXSOJSA-N 1 3 350.506 4.330 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422786570 1096491040 /nfs/dbraw/zinc/49/10/40/1096491040.db2.gz SPJYTJWPGSIQOZ-GFCCVEGCSA-N 1 3 368.308 4.275 20 0 FIADHO CCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422892306 1096516366 /nfs/dbraw/zinc/51/63/66/1096516366.db2.gz MPZQDXJVZYRABA-GJZGRUSLSA-N 1 3 357.498 4.058 20 0 FIADHO c1ccc2c(c1)cccc2OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422933987 1096529156 /nfs/dbraw/zinc/52/91/56/1096529156.db2.gz BWKKJCWPGBZTIE-URXFXBBRSA-N 1 3 374.484 4.064 20 0 FIADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423035614 1096556256 /nfs/dbraw/zinc/55/62/56/1096556256.db2.gz SADHWNIFUKZMTA-KXBFYZLASA-N 1 3 370.368 4.065 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423058676 1096560601 /nfs/dbraw/zinc/56/06/01/1096560601.db2.gz KCIOTGAQECNSAQ-CHWSQXEVSA-N 1 3 351.416 4.322 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(Br)s1 ZINC000423060133 1096561278 /nfs/dbraw/zinc/56/12/78/1096561278.db2.gz NSJNHAGBFXFHPB-MWLCHTKSSA-N 1 3 354.317 4.085 20 0 FIADHO CSc1ccc([C@@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112048 1096585628 /nfs/dbraw/zinc/58/56/28/1096585628.db2.gz XGZVPQVDHFNTRE-JJXUHFIVSA-N 1 3 354.519 4.315 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423139895 1096595250 /nfs/dbraw/zinc/59/52/50/1096595250.db2.gz WUECVEIMAVVRAA-ACJLOTCBSA-N 1 3 351.416 4.236 20 0 FIADHO COc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000414720329 1096600592 /nfs/dbraw/zinc/60/05/92/1096600592.db2.gz BRZHWOMHINJLFW-HXUWFJFHSA-N 1 3 356.535 4.209 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000423290672 1096635164 /nfs/dbraw/zinc/63/51/64/1096635164.db2.gz FAIZLYFBIKPLLU-CHWSQXEVSA-N 1 3 363.299 4.328 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000423291524 1096636087 /nfs/dbraw/zinc/63/60/87/1096636087.db2.gz ISGPRSVNYFXKHU-RYUDHWBXSA-N 1 3 351.263 4.459 20 0 FIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000423294530 1096643697 /nfs/dbraw/zinc/64/36/97/1096643697.db2.gz UQMHCAGTXVKGDF-UONOGXRCSA-N 1 3 352.400 4.498 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423296173 1096644489 /nfs/dbraw/zinc/64/44/89/1096644489.db2.gz YNWNWOZDHINKDT-HZPDHXFCSA-N 1 3 354.498 4.087 20 0 FIADHO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423300350 1096645481 /nfs/dbraw/zinc/64/54/81/1096645481.db2.gz RJARRCIXGBXMJK-WDEREUQCSA-N 1 3 368.344 4.126 20 0 FIADHO [NH3+]CCCCN[C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423331326 1096648985 /nfs/dbraw/zinc/64/89/85/1096648985.db2.gz PWEMYUHYPBHGMC-KRWDZBQOSA-N 1 3 351.263 4.006 20 0 FIADHO Brc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423333998 1096649807 /nfs/dbraw/zinc/64/98/07/1096649807.db2.gz FLLAHNCPWYWTRM-IBGZPJMESA-N 1 3 357.295 4.048 20 0 FIADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423445568 1096677813 /nfs/dbraw/zinc/67/78/13/1096677813.db2.gz YDJUVNPRWVDOBZ-CXAGYDPISA-N 1 3 351.288 4.239 20 0 FIADHO C[C@H](CCCC[NH3+])N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423445575 1096678074 /nfs/dbraw/zinc/67/80/74/1096678074.db2.gz YDJUVNPRWVDOBZ-DYVFJYSZSA-N 1 3 351.288 4.239 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N ZINC000423447472 1096679158 /nfs/dbraw/zinc/67/91/58/1096679158.db2.gz PBSCCJAANYYHGU-VWYCJHECSA-N 1 3 368.344 4.267 20 0 FIADHO Brc1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2ccco2)cc1 ZINC000423470848 1096693187 /nfs/dbraw/zinc/69/31/87/1096693187.db2.gz DMKGCVHBEAZBEA-WMZOPIPTSA-N 1 3 363.299 4.253 20 0 FIADHO COc1ccccc1[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000423554577 1096721153 /nfs/dbraw/zinc/72/11/53/1096721153.db2.gz WWOAWLSFXQQAEY-PEOGOYOCSA-N 1 3 370.924 4.416 20 0 FIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301831 1098915875 /nfs/dbraw/zinc/91/58/75/1098915875.db2.gz OTIHAPJGTIOWBH-HRAATJIYSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000436301831 1098915878 /nfs/dbraw/zinc/91/58/78/1098915878.db2.gz OTIHAPJGTIOWBH-HRAATJIYSA-N 1 3 351.469 4.307 20 0 FIADHO CC(C)N(C)c1ccccc1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000437075836 1099579517 /nfs/dbraw/zinc/57/95/17/1099579517.db2.gz MOIDASDFOGTJKC-LJQANCHMSA-N 1 3 369.553 4.322 20 0 FIADHO Cc1ccc2c(CC[NH2+]C3CCN(C4CCCCC4)CC3)cn(C)c2c1 ZINC000437107600 1099614167 /nfs/dbraw/zinc/61/41/67/1099614167.db2.gz ZLKFLHILXFPKBE-UHFFFAOYSA-N 1 3 353.554 4.416 20 0 FIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000162279262 1099673529 /nfs/dbraw/zinc/67/35/29/1099673529.db2.gz AVYZYVGBGHQCQE-LJQANCHMSA-N 1 3 353.510 4.187 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000162500013 1099811117 /nfs/dbraw/zinc/81/11/17/1099811117.db2.gz VPMBJVOFKIEXDM-OAHLLOKOSA-N 1 3 362.901 4.140 20 0 FIADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692884 1099827772 /nfs/dbraw/zinc/82/77/72/1099827772.db2.gz BPZUNCCJIVRRJS-GGPKGHCWSA-N 1 3 356.485 4.093 20 0 FIADHO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508719422 1099909484 /nfs/dbraw/zinc/90/94/84/1099909484.db2.gz PMBGZVHOMMMZBP-MJGOQNOKSA-N 1 3 371.594 4.483 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000536652973 1100107338 /nfs/dbraw/zinc/10/73/38/1100107338.db2.gz FREYRGRITZOEOA-UHFFFAOYSA-N 1 3 367.537 4.213 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000536652973 1100107346 /nfs/dbraw/zinc/10/73/46/1100107346.db2.gz FREYRGRITZOEOA-UHFFFAOYSA-N 1 3 367.537 4.213 20 0 FIADHO COCC[NH+]1CCC(NCc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC000536860693 1100376822 /nfs/dbraw/zinc/37/68/22/1100376822.db2.gz AINFUVREJIKVDN-UHFFFAOYSA-N 1 3 372.484 4.127 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1)CC1CC1 ZINC000438084786 1100412336 /nfs/dbraw/zinc/41/23/36/1100412336.db2.gz KAKVALWTEUTEAQ-UHFFFAOYSA-N 1 3 372.582 4.472 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1)CC1CC1 ZINC000438084786 1100412345 /nfs/dbraw/zinc/41/23/45/1100412345.db2.gz KAKVALWTEUTEAQ-UHFFFAOYSA-N 1 3 372.582 4.472 20 0 FIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000426031407 1100682986 /nfs/dbraw/zinc/68/29/86/1100682986.db2.gz RSTBAUQQBMLUJQ-PWRODBHTSA-N 1 3 357.929 4.481 20 0 FIADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCCN1C1CCCC1 ZINC000438771452 1100907471 /nfs/dbraw/zinc/90/74/71/1100907471.db2.gz KYCRZRMWJQZRFS-OAQYLSRUSA-N 1 3 355.526 4.018 20 0 FIADHO CCN1CCN(c2ccccc2C[N@H+](CC)[C@@H](C)c2cccc(O)c2)CC1 ZINC000509546883 1100934250 /nfs/dbraw/zinc/93/42/50/1100934250.db2.gz WVWGGDBOIKOAPL-IBGZPJMESA-N 1 3 367.537 4.117 20 0 FIADHO CCN1CCN(c2ccccc2C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)CC1 ZINC000509546883 1100934258 /nfs/dbraw/zinc/93/42/58/1100934258.db2.gz WVWGGDBOIKOAPL-IBGZPJMESA-N 1 3 367.537 4.117 20 0 FIADHO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000426345732 1101323270 /nfs/dbraw/zinc/32/32/70/1101323270.db2.gz NCDAAWIKHKPSAK-IERDGZPVSA-N 1 3 356.535 4.005 20 0 FIADHO CC(C)[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000537013862 1101393023 /nfs/dbraw/zinc/39/30/23/1101393023.db2.gz UHWQVYQOXMNDCI-GOSISDBHSA-N 1 3 351.332 4.363 20 0 FIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(Br)ccc1F ZINC000518765570 1101523138 /nfs/dbraw/zinc/52/31/38/1101523138.db2.gz NCSOIKXJYZAILS-AWEZNQCLSA-N 1 3 357.311 4.332 20 0 FIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(Br)ccc1F ZINC000518765570 1101523146 /nfs/dbraw/zinc/52/31/46/1101523146.db2.gz NCSOIKXJYZAILS-AWEZNQCLSA-N 1 3 357.311 4.332 20 0 FIADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537190270 1101524269 /nfs/dbraw/zinc/52/42/69/1101524269.db2.gz YVYNWLTWZUIEAF-FHZYATBESA-N 1 3 362.517 4.498 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131438 1101971062 /nfs/dbraw/zinc/97/10/62/1101971062.db2.gz JSDIMCHOSGUVEE-BBTUJRGHSA-N 1 3 366.505 4.019 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131438 1101971066 /nfs/dbraw/zinc/97/10/66/1101971066.db2.gz JSDIMCHOSGUVEE-BBTUJRGHSA-N 1 3 366.505 4.019 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290505 1101971775 /nfs/dbraw/zinc/97/17/75/1101971775.db2.gz ZOYHWNOSWSGQQH-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290505 1101971779 /nfs/dbraw/zinc/97/17/79/1101971779.db2.gz ZOYHWNOSWSGQQH-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000648506064 1102297298 /nfs/dbraw/zinc/29/72/98/1102297298.db2.gz QJDFWGKNZYGZFL-NVXWUHKLSA-N 1 3 369.896 4.481 20 0 FIADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[NH+](C)C)c1)CCCS2 ZINC000187729000 1102304787 /nfs/dbraw/zinc/30/47/87/1102304787.db2.gz HXNPBQWMAWJYMB-HXUWFJFHSA-N 1 3 356.535 4.474 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(CO)c1 ZINC000121085568 1102324161 /nfs/dbraw/zinc/32/41/61/1102324161.db2.gz YGELMPGCHQYDMH-LJQANCHMSA-N 1 3 352.522 4.262 20 0 FIADHO CC(C)N1CCC([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000532464567 1102370782 /nfs/dbraw/zinc/37/07/82/1102370782.db2.gz GXOTWLHRTZLUDE-UHFFFAOYSA-N 1 3 350.506 4.251 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cccc(CO)c1 ZINC000121739720 1102448321 /nfs/dbraw/zinc/44/83/21/1102448321.db2.gz GJVXVYIXQRGIGV-QGZVFWFLSA-N 1 3 372.940 4.395 20 0 FIADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550885786 1102656669 /nfs/dbraw/zinc/65/66/69/1102656669.db2.gz JIWFAVASLGRRDV-SJBKTWHCSA-N 1 3 370.581 4.330 20 0 FIADHO CC[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000123019543 1102746630 /nfs/dbraw/zinc/74/66/30/1102746630.db2.gz QMFCZBPSYBZIDI-OAQYLSRUSA-N 1 3 366.505 4.295 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000536626284 1102933675 /nfs/dbraw/zinc/93/36/75/1102933675.db2.gz WUPLGZZKPAXHPY-CLCXKQKWSA-N 1 3 356.913 4.267 20 0 FIADHO C[NH+](C)CC1CCN(Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000506931225 1102968541 /nfs/dbraw/zinc/96/85/41/1102968541.db2.gz XPVQMGGQTGYOMK-UHFFFAOYSA-N 1 3 368.569 4.003 20 0 FIADHO C[NH+]1CCC(N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187961788 1103555362 /nfs/dbraw/zinc/55/53/62/1103555362.db2.gz GENOXHCXDRBMST-QGZVFWFLSA-N 1 3 355.295 4.113 20 0 FIADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000520343990 1104284939 /nfs/dbraw/zinc/28/49/39/1104284939.db2.gz SRLYFAANSNFWQJ-CTNGQTDRSA-N 1 3 358.570 4.330 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419126 1104399546 /nfs/dbraw/zinc/39/95/46/1104399546.db2.gz JJURSYUUAFFQPX-DENIHFKCSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441419126 1104399558 /nfs/dbraw/zinc/39/95/58/1104399558.db2.gz JJURSYUUAFFQPX-DENIHFKCSA-N 1 3 350.506 4.167 20 0 FIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)C1 ZINC000537963318 1104448460 /nfs/dbraw/zinc/44/84/60/1104448460.db2.gz HTBSKINLGKUBDO-RLLQIKCJSA-N 1 3 366.615 4.064 20 0 FIADHO CSCc1cccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000188717480 1104751209 /nfs/dbraw/zinc/75/12/09/1104751209.db2.gz VHBLJQGOXSFDKY-KRWDZBQOSA-N 1 3 358.551 4.341 20 0 FIADHO COCCC1(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCCCC1 ZINC000189135463 1104782005 /nfs/dbraw/zinc/78/20/05/1104782005.db2.gz DQLCYKSKFVFBMY-JOCHJYFZSA-N 1 3 358.570 4.128 20 0 FIADHO COc1cccc([C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001168002131 1104969785 /nfs/dbraw/zinc/96/97/85/1104969785.db2.gz NARYMBSKLRNZMT-CCDCCJRHSA-N 1 3 354.538 4.280 20 0 FIADHO COc1cccc([C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001168002131 1104969786 /nfs/dbraw/zinc/96/97/86/1104969786.db2.gz NARYMBSKLRNZMT-CCDCCJRHSA-N 1 3 354.538 4.280 20 0 FIADHO Cc1ccc2ncc(C[NH2+][C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)n2c1 ZINC001168007924 1105147494 /nfs/dbraw/zinc/14/74/94/1105147494.db2.gz VPJACHBWYARXMJ-CEQLMSFQSA-N 1 3 362.521 4.174 20 0 FIADHO CN(C)CC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000427866884 1105303525 /nfs/dbraw/zinc/30/35/25/1105303525.db2.gz NEDQLHBMZRDUQK-KRWDZBQOSA-N 1 3 355.448 4.189 20 0 FIADHO CSc1cc(Br)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000531531727 1107952994 /nfs/dbraw/zinc/95/29/94/1107952994.db2.gz GEQLRLUSWUJBCP-UHFFFAOYSA-N 1 3 369.372 4.278 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(CN(C)C)cc3)cc2)C1 ZINC000523381360 1108162890 /nfs/dbraw/zinc/16/28/90/1108162890.db2.gz JWJOQRPUWVSHPA-GOSISDBHSA-N 1 3 365.521 4.232 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(CN(C)C)cc3)cc2)C1 ZINC000523381360 1108162896 /nfs/dbraw/zinc/16/28/96/1108162896.db2.gz JWJOQRPUWVSHPA-GOSISDBHSA-N 1 3 365.521 4.232 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cc(-c3ccccc3)nn2C)c1 ZINC000453112014 1108179465 /nfs/dbraw/zinc/17/94/65/1108179465.db2.gz SJNBCNKBWMXDFE-GOSISDBHSA-N 1 3 362.521 4.390 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cc(-c3ccccc3)nn2C)c1 ZINC000453112014 1108179471 /nfs/dbraw/zinc/17/94/71/1108179471.db2.gz SJNBCNKBWMXDFE-GOSISDBHSA-N 1 3 362.521 4.390 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1OC ZINC000453388512 1108474598 /nfs/dbraw/zinc/47/45/98/1108474598.db2.gz WOFFGNZOKRUJKD-GCJKJVERSA-N 1 3 360.542 4.101 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)ccc1OC ZINC000453388512 1108474615 /nfs/dbraw/zinc/47/46/15/1108474615.db2.gz WOFFGNZOKRUJKD-GCJKJVERSA-N 1 3 360.542 4.101 20 0 FIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375624 1108494065 /nfs/dbraw/zinc/49/40/65/1108494065.db2.gz XYUFOVXBZZLOOD-VISVQNLJSA-N 1 3 357.325 4.364 20 0 FIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453375624 1108494076 /nfs/dbraw/zinc/49/40/76/1108494076.db2.gz XYUFOVXBZZLOOD-VISVQNLJSA-N 1 3 357.325 4.364 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CSCCc4ccccc43)C2)cc1 ZINC000532216050 1108715116 /nfs/dbraw/zinc/71/51/16/1108715116.db2.gz QDDDFBWHAXXTER-REWPJTCUSA-N 1 3 366.574 4.171 20 0 FIADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525633044 1109462417 /nfs/dbraw/zinc/46/24/17/1109462417.db2.gz DSCFXDDDCDAJBJ-PHZLKFDYSA-N 1 3 363.634 4.329 20 0 FIADHO C[N@@H+]1CCC[C@H](CNCC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697385 1109481516 /nfs/dbraw/zinc/48/15/16/1109481516.db2.gz RPVFLROBUOATGO-NQIIRXRSSA-N 1 3 354.519 4.197 20 0 FIADHO C[N@H+]1CCC[C@H](CNCC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697385 1109481518 /nfs/dbraw/zinc/48/15/18/1109481518.db2.gz RPVFLROBUOATGO-NQIIRXRSSA-N 1 3 354.519 4.197 20 0 FIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Br ZINC000447582249 1109585443 /nfs/dbraw/zinc/58/54/43/1109585443.db2.gz VYIGWKCRXDGBAF-LBPRGKRZSA-N 1 3 355.295 4.113 20 0 FIADHO Cc1ccccc1-c1ccccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000449043900 1109966419 /nfs/dbraw/zinc/96/64/19/1109966419.db2.gz AJEDRZVTLKMUHV-TUACAJSNSA-N 1 3 364.533 4.346 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCc2ccccc2-n2ccnc2)CC1 ZINC000449099770 1109975940 /nfs/dbraw/zinc/97/59/40/1109975940.db2.gz UUWMZLDSAWMOLM-FQEVSTJZSA-N 1 3 374.532 4.058 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000449089064 1109977938 /nfs/dbraw/zinc/97/79/38/1109977938.db2.gz IUGMLVPUVCUJIA-OMFOHFGMSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000449089064 1109977940 /nfs/dbraw/zinc/97/79/40/1109977940.db2.gz IUGMLVPUVCUJIA-OMFOHFGMSA-N 1 3 367.306 4.051 20 0 FIADHO Cc1noc(C)c1[C@@H](C)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449186248 1109994554 /nfs/dbraw/zinc/99/45/54/1109994554.db2.gz JCUWQISXVOUBRM-DLBZAZTESA-N 1 3 355.526 4.080 20 0 FIADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000449219039 1109999731 /nfs/dbraw/zinc/99/97/31/1109999731.db2.gz MCTFMFSQFBUYTE-NQIIRXRSSA-N 1 3 371.594 4.036 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(-c2ccccc2)c1 ZINC000539062263 1111408065 /nfs/dbraw/zinc/40/80/65/1111408065.db2.gz VQBMQUPHQBNXLY-GLYQVZKVSA-N 1 3 364.533 4.382 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1O2 ZINC000539370364 1111533228 /nfs/dbraw/zinc/53/32/28/1111533228.db2.gz SSGUCMZYODDNIZ-HXUWFJFHSA-N 1 3 370.924 4.460 20 0 FIADHO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552047834 1111556732 /nfs/dbraw/zinc/55/67/32/1111556732.db2.gz ZZWDWZFRVYJIAF-YPAWHYETSA-N 1 3 358.570 4.066 20 0 FIADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000552224172 1111624101 /nfs/dbraw/zinc/62/41/01/1111624101.db2.gz LVYRVQNTIGRCPE-WMZHIEFXSA-N 1 3 367.537 4.086 20 0 FIADHO FC(F)(F)Oc1cccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000552224315 1111624128 /nfs/dbraw/zinc/62/41/28/1111624128.db2.gz SPQWFENRFPKGPB-FZKQIMNGSA-N 1 3 354.416 4.110 20 0 FIADHO FC(F)(F)Oc1cccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224315 1111624129 /nfs/dbraw/zinc/62/41/29/1111624129.db2.gz SPQWFENRFPKGPB-FZKQIMNGSA-N 1 3 354.416 4.110 20 0 FIADHO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552277188 1111656056 /nfs/dbraw/zinc/65/60/56/1111656056.db2.gz QPUTULRWORPCRM-LNRXMEIDSA-N 1 3 356.554 4.224 20 0 FIADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358113 1111998031 /nfs/dbraw/zinc/99/80/31/1111998031.db2.gz ITJOBOOUQXSMCA-CXAGYDPISA-N 1 3 351.332 4.103 20 0 FIADHO CC[N@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358113 1111998032 /nfs/dbraw/zinc/99/80/32/1111998032.db2.gz ITJOBOOUQXSMCA-CXAGYDPISA-N 1 3 351.332 4.103 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358113 1111998035 /nfs/dbraw/zinc/99/80/35/1111998035.db2.gz ITJOBOOUQXSMCA-CXAGYDPISA-N 1 3 351.332 4.103 20 0 FIADHO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(CN(C)C)c1 ZINC000553850624 1112112037 /nfs/dbraw/zinc/11/20/37/1112112037.db2.gz QDFJZNUHISIONM-UHFFFAOYSA-N 1 3 365.521 4.295 20 0 FIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000479764506 1112135274 /nfs/dbraw/zinc/13/52/74/1112135274.db2.gz GWMLICSZNQWQBS-ROUUACIJSA-N 1 3 357.546 4.045 20 0 FIADHO COCc1csc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000667688632 1112469841 /nfs/dbraw/zinc/46/98/41/1112469841.db2.gz YMALSGIGCUXFFT-UHFFFAOYSA-N 1 3 370.562 4.383 20 0 FIADHO COCc1csc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000667688632 1112469844 /nfs/dbraw/zinc/46/98/44/1112469844.db2.gz YMALSGIGCUXFFT-UHFFFAOYSA-N 1 3 370.562 4.383 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000480603344 1112504481 /nfs/dbraw/zinc/50/44/81/1112504481.db2.gz RUTLECPFLHFQDZ-IXDOHACOSA-N 1 3 366.521 4.252 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000480603344 1112504486 /nfs/dbraw/zinc/50/44/86/1112504486.db2.gz RUTLECPFLHFQDZ-IXDOHACOSA-N 1 3 366.521 4.252 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000480603355 1112505058 /nfs/dbraw/zinc/50/50/58/1112505058.db2.gz RUTLECPFLHFQDZ-ZACQAIPSSA-N 1 3 366.521 4.252 20 0 FIADHO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCN(CC)CC2)s1 ZINC000480719403 1112562028 /nfs/dbraw/zinc/56/20/28/1112562028.db2.gz XUHABVOZLZUKFB-GOSISDBHSA-N 1 3 371.594 4.299 20 0 FIADHO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)s1 ZINC000480733483 1112569326 /nfs/dbraw/zinc/56/93/26/1112569326.db2.gz UKFPCSUFZADXLO-GOSISDBHSA-N 1 3 371.594 4.299 20 0 FIADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc(F)cc1 ZINC000480733666 1112569466 /nfs/dbraw/zinc/56/94/66/1112569466.db2.gz USLFSESKXIZJJY-HSZRJFAPSA-N 1 3 369.528 4.204 20 0 FIADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(OCC[NH+](C)C)cc1)CCCO2 ZINC000481320857 1112892123 /nfs/dbraw/zinc/89/21/23/1112892123.db2.gz NMCLQKRZTSVPLT-JOCHJYFZSA-N 1 3 368.521 4.247 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000481313118 1112897121 /nfs/dbraw/zinc/89/71/21/1112897121.db2.gz JDLCVSDMDGHJDH-SIKLNZKXSA-N 1 3 374.569 4.235 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333331 1112903877 /nfs/dbraw/zinc/90/38/77/1112903877.db2.gz SKHUQKFBBCQUAQ-PKOBYXMFSA-N 1 3 356.485 4.397 20 0 FIADHO COc1cc(C)c([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000162904311 1113211334 /nfs/dbraw/zinc/21/13/34/1113211334.db2.gz MFVVIHSJUKFQEQ-GOSISDBHSA-N 1 3 368.521 4.459 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441437 1113257515 /nfs/dbraw/zinc/25/75/15/1113257515.db2.gz VBGJVNANOBGTBG-UNMCSNQZSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441437 1113257518 /nfs/dbraw/zinc/25/75/18/1113257518.db2.gz VBGJVNANOBGTBG-UNMCSNQZSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441437 1113257521 /nfs/dbraw/zinc/25/75/21/1113257521.db2.gz VBGJVNANOBGTBG-UNMCSNQZSA-N 1 3 374.532 4.088 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000482454236 1113265759 /nfs/dbraw/zinc/26/57/59/1113265759.db2.gz WZHJONFODZVXLX-FPOVZHCZSA-N 1 3 352.547 4.378 20 0 FIADHO CCC[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1 ZINC000482561532 1113296031 /nfs/dbraw/zinc/29/60/31/1113296031.db2.gz BNOQGUQAZFUTGI-LJQANCHMSA-N 1 3 350.934 4.416 20 0 FIADHO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486381624 1113557100 /nfs/dbraw/zinc/55/71/00/1113557100.db2.gz YFHZXQZYVIZTLJ-VQIMIIECSA-N 1 3 355.551 4.411 20 0 FIADHO CC(C)Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486532977 1113589403 /nfs/dbraw/zinc/58/94/03/1113589403.db2.gz GZAUMMNTMSSFNW-MJGOQNOKSA-N 1 3 357.567 4.342 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(NCc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486704307 1113626178 /nfs/dbraw/zinc/62/61/78/1113626178.db2.gz AJVAWRWIFPKQFK-UHFFFAOYSA-N 1 3 351.469 4.370 20 0 FIADHO C[C@@H](NCc1cc2ccc(F)cc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486708707 1113627333 /nfs/dbraw/zinc/62/73/33/1113627333.db2.gz KDCLBLUVLKJJPN-VQIMIIECSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H](NCc1cc2ccc(F)cc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708707 1113627337 /nfs/dbraw/zinc/62/73/37/1113627337.db2.gz KDCLBLUVLKJJPN-VQIMIIECSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486708707 1113627341 /nfs/dbraw/zinc/62/73/41/1113627341.db2.gz KDCLBLUVLKJJPN-VQIMIIECSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]C(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000490119563 1114220035 /nfs/dbraw/zinc/22/00/35/1114220035.db2.gz PPKATMZVIMIVIF-BGYRXZFFSA-N 1 3 352.522 4.255 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)C2 ZINC001168400290 1115037207 /nfs/dbraw/zinc/03/72/07/1115037207.db2.gz LOBYWYBKIJHKFM-GNLZIIPMSA-N 1 3 364.508 4.183 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001168400291 1115037500 /nfs/dbraw/zinc/03/75/00/1115037500.db2.gz LOBYWYBKIJHKFM-IQFVJIFQSA-N 1 3 364.508 4.183 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001168400292 1115037622 /nfs/dbraw/zinc/03/76/22/1115037622.db2.gz LOBYWYBKIJHKFM-TWDDROGUSA-N 1 3 364.508 4.183 20 0 FIADHO Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C2)c1 ZINC000573366142 1115093953 /nfs/dbraw/zinc/09/39/53/1115093953.db2.gz FXRXYYGBBHQEFO-TWEIKEKHSA-N 1 3 370.487 4.365 20 0 FIADHO CSc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651935 1115161786 /nfs/dbraw/zinc/16/17/86/1115161786.db2.gz QUWVXTYCICXBIE-ROUUACIJSA-N 1 3 358.576 4.424 20 0 FIADHO CSc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)s1 ZINC000573651935 1115161791 /nfs/dbraw/zinc/16/17/91/1115161791.db2.gz QUWVXTYCICXBIE-ROUUACIJSA-N 1 3 358.576 4.424 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH2+]CC1CCN(Cc3ccccc3F)CC1)C2 ZINC001168414628 1115777843 /nfs/dbraw/zinc/77/78/43/1115777843.db2.gz HKDVBRRYMMRYLP-QFIPXVFZSA-N 1 3 370.487 4.324 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509439 1116313910 /nfs/dbraw/zinc/31/39/10/1116313910.db2.gz SHXQKIBYBULFRR-BZNIZROVSA-N 1 3 357.723 4.021 20 0 FIADHO C[NH+](C)CC1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539842365 1116389579 /nfs/dbraw/zinc/38/95/79/1116389579.db2.gz UGVKUCSOXBJYQG-SFHVURJKSA-N 1 3 351.332 4.100 20 0 FIADHO Oc1cccc2c1CCC[C@H]2NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896314 1117844009 /nfs/dbraw/zinc/84/40/09/1117844009.db2.gz NFOFTYTZCXRCME-OXQOHEQNSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1cccc2c1CCC[C@H]2NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896314 1117844015 /nfs/dbraw/zinc/84/40/15/1117844015.db2.gz NFOFTYTZCXRCME-OXQOHEQNSA-N 1 3 356.535 4.333 20 0 FIADHO CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175338 1117915807 /nfs/dbraw/zinc/91/58/07/1117915807.db2.gz UFNZYOQEANTBRL-JTSKRJEESA-N 1 3 368.521 4.364 20 0 FIADHO C[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCCC1 ZINC000463071345 1117956124 /nfs/dbraw/zinc/95/61/24/1117956124.db2.gz LMPNHFYSCLWSFW-GOSISDBHSA-N 1 3 363.977 4.016 20 0 FIADHO CCC[N@H+](C)C[C@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095693 1117964159 /nfs/dbraw/zinc/96/41/59/1117964159.db2.gz FRYSAOOWNQBWKB-HXUWFJFHSA-N 1 3 356.558 4.179 20 0 FIADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095693 1117964163 /nfs/dbraw/zinc/96/41/63/1117964163.db2.gz FRYSAOOWNQBWKB-HXUWFJFHSA-N 1 3 356.558 4.179 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137207 1117986053 /nfs/dbraw/zinc/98/60/53/1117986053.db2.gz JHCMIMMOQCVWNX-XXBNENTESA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137207 1117986055 /nfs/dbraw/zinc/98/60/55/1117986055.db2.gz JHCMIMMOQCVWNX-XXBNENTESA-N 1 3 352.522 4.366 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140392 1117987445 /nfs/dbraw/zinc/98/74/45/1117987445.db2.gz GYDWOYMLYLLRTL-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140392 1117987447 /nfs/dbraw/zinc/98/74/47/1117987447.db2.gz GYDWOYMLYLLRTL-GBXCKJPGSA-N 1 3 374.532 4.074 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208939 1118023258 /nfs/dbraw/zinc/02/32/58/1118023258.db2.gz ZSWMGKOWXJBBCI-KPLVRAHFSA-N 1 3 350.506 4.325 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208939 1118023263 /nfs/dbraw/zinc/02/32/63/1118023263.db2.gz ZSWMGKOWXJBBCI-KPLVRAHFSA-N 1 3 350.506 4.325 20 0 FIADHO Cc1sc(CC[NH2+]C2CCN(CC3CC3)CC2)nc1-c1ccccc1 ZINC000540393189 1118026940 /nfs/dbraw/zinc/02/69/40/1118026940.db2.gz HISLUDMSGAVKKS-UHFFFAOYSA-N 1 3 355.551 4.125 20 0 FIADHO Cc1sc(CCNC2CC[NH+](CC3CC3)CC2)nc1-c1ccccc1 ZINC000540393189 1118026950 /nfs/dbraw/zinc/02/69/50/1118026950.db2.gz HISLUDMSGAVKKS-UHFFFAOYSA-N 1 3 355.551 4.125 20 0 FIADHO COC[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000540395179 1118029113 /nfs/dbraw/zinc/02/91/13/1118029113.db2.gz PZZPUGVNEJIJEN-WIXQSORDSA-N 1 3 366.496 4.285 20 0 FIADHO CCCNc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463234556 1118042286 /nfs/dbraw/zinc/04/22/86/1118042286.db2.gz CXMLCHCBPKSULQ-UHFFFAOYSA-N 1 3 351.538 4.305 20 0 FIADHO Cc1ccc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)c1 ZINC000540475533 1118077794 /nfs/dbraw/zinc/07/77/94/1118077794.db2.gz XUAUWYGJOHKGOB-JOCHJYFZSA-N 1 3 364.533 4.424 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C2CCCC2)o1 ZINC000540493145 1118090612 /nfs/dbraw/zinc/09/06/12/1118090612.db2.gz WHMQDTWVSSJBNL-KCZVDYSFSA-N 1 3 360.542 4.177 20 0 FIADHO Cc1ccccc1CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540495264 1118091880 /nfs/dbraw/zinc/09/18/80/1118091880.db2.gz SIZMGKVXARUZRG-OAQYLSRUSA-N 1 3 350.506 4.115 20 0 FIADHO Cc1ccsc1CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540507752 1118098767 /nfs/dbraw/zinc/09/87/67/1118098767.db2.gz NOWDZHGSGDIHOZ-SFHVURJKSA-N 1 3 356.535 4.177 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540992651 1118341910 /nfs/dbraw/zinc/34/19/10/1118341910.db2.gz YIULYTOEUVHGRV-XLIONFOSSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540992651 1118341912 /nfs/dbraw/zinc/34/19/12/1118341912.db2.gz YIULYTOEUVHGRV-XLIONFOSSA-N 1 3 370.562 4.216 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000541740813 1118629094 /nfs/dbraw/zinc/62/90/94/1118629094.db2.gz DWWPVEJTKJTXJC-IBGZPJMESA-N 1 3 360.933 4.026 20 0 FIADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000541914740 1118699229 /nfs/dbraw/zinc/69/92/29/1118699229.db2.gz IXBJQEQHXFUOIN-YRNRMSPPSA-N 1 3 354.485 4.141 20 0 FIADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000303090223 1118796716 /nfs/dbraw/zinc/79/67/16/1118796716.db2.gz ZHNSSGWGUUBAKR-OAHLLOKOSA-N 1 3 356.432 4.454 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000303447914 1118940445 /nfs/dbraw/zinc/94/04/45/1118940445.db2.gz ZWHDLZJDYCGGCJ-UHFFFAOYSA-N 1 3 350.572 4.361 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000303447914 1118940446 /nfs/dbraw/zinc/94/04/46/1118940446.db2.gz ZWHDLZJDYCGGCJ-UHFFFAOYSA-N 1 3 350.572 4.361 20 0 FIADHO CC(C)Oc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311704807 1119385429 /nfs/dbraw/zinc/38/54/29/1119385429.db2.gz VAQGWMPFZFZQKZ-KNQAVFIVSA-N 1 3 352.522 4.474 20 0 FIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892243 1119393589 /nfs/dbraw/zinc/39/35/89/1119393589.db2.gz YPKVVOBZLJVWSK-FGZHOGPDSA-N 1 3 356.554 4.228 20 0 FIADHO CN(c1ccccc1CNCc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC000185181713 1119646091 /nfs/dbraw/zinc/64/60/91/1119646091.db2.gz GLLMJAGGHHNWKA-UHFFFAOYSA-N 1 3 373.491 4.444 20 0 FIADHO CN(C)[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186569660 1119737250 /nfs/dbraw/zinc/73/72/50/1119737250.db2.gz PFKQSOBCAHENAI-SFHVURJKSA-N 1 3 371.491 4.161 20 0 FIADHO C[C@H](O)[C@@](C)(CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000188917571 1119805918 /nfs/dbraw/zinc/80/59/18/1119805918.db2.gz BKGZANILNHFYET-WMZHIEFXSA-N 1 3 358.570 4.003 20 0 FIADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189739968 1119915120 /nfs/dbraw/zinc/91/51/20/1119915120.db2.gz LZTPBUJSIRNZLM-IBGZPJMESA-N 1 3 370.459 4.171 20 0 FIADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189739968 1119915123 /nfs/dbraw/zinc/91/51/23/1119915123.db2.gz LZTPBUJSIRNZLM-IBGZPJMESA-N 1 3 370.459 4.171 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1 ZINC000190720598 1119946379 /nfs/dbraw/zinc/94/63/79/1119946379.db2.gz RYZVOELHWMEJBT-UHFFFAOYSA-N 1 3 366.553 4.059 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCSc3ccc(OC)cc32)c1 ZINC000191510491 1119981125 /nfs/dbraw/zinc/98/11/25/1119981125.db2.gz WYVHJMZTPPAOGQ-FQEVSTJZSA-N 1 3 356.535 4.474 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCSc3ccc(OC)cc32)c1 ZINC000191510491 1119981126 /nfs/dbraw/zinc/98/11/26/1119981126.db2.gz WYVHJMZTPPAOGQ-FQEVSTJZSA-N 1 3 356.535 4.474 20 0 FIADHO CCOc1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1O ZINC000494678079 1120026886 /nfs/dbraw/zinc/02/68/86/1120026886.db2.gz CPGNASZBZYAPIO-UHFFFAOYSA-N 1 3 368.521 4.313 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000192795639 1120084434 /nfs/dbraw/zinc/08/44/34/1120084434.db2.gz RSXFJLRMGQQENN-NRFANRHFSA-N 1 3 371.594 4.038 20 0 FIADHO c1nnc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CCCCC2)[nH]1 ZINC000494878326 1120354981 /nfs/dbraw/zinc/35/49/81/1120354981.db2.gz LGVAHWSCVGLHSO-NRFANRHFSA-N 1 3 367.541 4.202 20 0 FIADHO Cc1ccccc1[C@@H](NCc1ccncc1OCC[NH+](C)C)C1CCCC1 ZINC000495034020 1120439855 /nfs/dbraw/zinc/43/98/55/1120439855.db2.gz ZPZFPGJTPIFBHW-QHCPKHFHSA-N 1 3 367.537 4.352 20 0 FIADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495105402 1120477252 /nfs/dbraw/zinc/47/72/52/1120477252.db2.gz BRMCMPBXMWGHLH-DYESRHJHSA-N 1 3 368.569 4.255 20 0 FIADHO CC[NH+]1CCC(CC2CCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC001203452660 1120995738 /nfs/dbraw/zinc/99/57/38/1120995738.db2.gz OIKMPNGKRWJHES-UHFFFAOYSA-N 1 3 360.542 4.038 20 0 FIADHO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000059949308 1121455084 /nfs/dbraw/zinc/45/50/84/1121455084.db2.gz QUZZDJDMZHOPNT-UHFFFAOYSA-N 1 3 365.521 4.377 20 0 FIADHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccc2c(c1)OCCO2 ZINC000123923560 1121646182 /nfs/dbraw/zinc/64/61/82/1121646182.db2.gz JPPZNHJZUYXFQP-HXUWFJFHSA-N 1 3 354.494 4.150 20 0 FIADHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccc2c(c1)OCCO2 ZINC000123923560 1121646184 /nfs/dbraw/zinc/64/61/84/1121646184.db2.gz JPPZNHJZUYXFQP-HXUWFJFHSA-N 1 3 354.494 4.150 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125730713 1121818465 /nfs/dbraw/zinc/81/84/65/1121818465.db2.gz YLZNBVBGADXAEW-RTBURBONSA-N 1 3 374.573 4.331 20 0 FIADHO CC1CC[NH+](Cc2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000917000837 1121996220 /nfs/dbraw/zinc/99/62/20/1121996220.db2.gz YIBVQBSGUGHGBH-NRFANRHFSA-N 1 3 374.475 4.020 20 0 FIADHO CN(c1ccccc1)c1ccc(CNCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000556057361 1122627925 /nfs/dbraw/zinc/62/79/25/1122627925.db2.gz BPIQMZOAGZZAHH-UHFFFAOYSA-N 1 3 360.505 4.201 20 0 FIADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000556089803 1122643508 /nfs/dbraw/zinc/64/35/08/1122643508.db2.gz MKWVMGISOCEJHT-SFHVURJKSA-N 1 3 372.557 4.009 20 0 FIADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000556089803 1122643512 /nfs/dbraw/zinc/64/35/12/1122643512.db2.gz MKWVMGISOCEJHT-SFHVURJKSA-N 1 3 372.557 4.009 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556129893 1122676854 /nfs/dbraw/zinc/67/68/54/1122676854.db2.gz IKGNYQOGTMUNPF-REIYTJMXSA-N 1 3 356.485 4.327 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556129893 1122676856 /nfs/dbraw/zinc/67/68/56/1122676856.db2.gz IKGNYQOGTMUNPF-REIYTJMXSA-N 1 3 356.485 4.327 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233991 1122750781 /nfs/dbraw/zinc/75/07/81/1122750781.db2.gz UJYVMEQNCIFCKZ-UGKGYDQZSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234331 1122751576 /nfs/dbraw/zinc/75/15/76/1122751576.db2.gz WRGZNKUTMNQGIG-FGZHOGPDSA-N 1 3 368.565 4.228 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868737 1123149741 /nfs/dbraw/zinc/14/97/41/1123149741.db2.gz BTXXJEGSSDPJQC-RDTXWAMCSA-N 1 3 356.432 4.358 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868737 1123149744 /nfs/dbraw/zinc/14/97/44/1123149744.db2.gz BTXXJEGSSDPJQC-RDTXWAMCSA-N 1 3 356.432 4.358 20 0 FIADHO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556891908 1123179650 /nfs/dbraw/zinc/17/96/50/1123179650.db2.gz HHVRNECLRFAXGC-YTFSRNRJSA-N 1 3 358.570 4.472 20 0 FIADHO COc1cccc(C2([NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000556912144 1123203851 /nfs/dbraw/zinc/20/38/51/1123203851.db2.gz QVZYXTVQDPAKMQ-AZUAARDMSA-N 1 3 350.506 4.185 20 0 FIADHO Clc1ccc([C@@H](C[NH2+]C2CCN(CC3CC3)CC2)OCC2CC2)cc1 ZINC000556913891 1123222817 /nfs/dbraw/zinc/22/28/17/1123222817.db2.gz VPAWVZPKKAGSOB-OAQYLSRUSA-N 1 3 362.945 4.272 20 0 FIADHO C[C@H](COc1cccc(F)c1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499159598 1123299395 /nfs/dbraw/zinc/29/93/95/1123299395.db2.gz VRKNKJOJRZMVDW-HLRQEUIKSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](COc1cccc(F)c1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159598 1123299397 /nfs/dbraw/zinc/29/93/97/1123299397.db2.gz VRKNKJOJRZMVDW-HLRQEUIKSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](COc1cccc(F)c1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499159597 1123299679 /nfs/dbraw/zinc/29/96/79/1123299679.db2.gz VRKNKJOJRZMVDW-CIQXWFTPSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](COc1cccc(F)c1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159597 1123299681 /nfs/dbraw/zinc/29/96/81/1123299681.db2.gz VRKNKJOJRZMVDW-CIQXWFTPSA-N 1 3 368.496 4.378 20 0 FIADHO c1csc([C@H](CNC2CC[NH+](C3CCCCC3)CC2)N2CCCC2)c1 ZINC000134130995 1123595089 /nfs/dbraw/zinc/59/50/89/1123595089.db2.gz HNDMHQUAUVQOOR-FQEVSTJZSA-N 1 3 361.599 4.272 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847245 1124447142 /nfs/dbraw/zinc/44/71/42/1124447142.db2.gz OTESYAQCXDTKQM-STSQHVNTSA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847245 1124447144 /nfs/dbraw/zinc/44/71/44/1124447144.db2.gz OTESYAQCXDTKQM-STSQHVNTSA-N 1 3 365.521 4.206 20 0 FIADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000246473340 1124509432 /nfs/dbraw/zinc/50/94/32/1124509432.db2.gz QQPVVNUPXDFGNO-ARFHVFGLSA-N 1 3 356.963 4.210 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564042 1124534476 /nfs/dbraw/zinc/53/44/76/1124534476.db2.gz FFCKNVLHHXJKEK-MGPUTAFESA-N 1 3 372.944 4.268 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564042 1124534481 /nfs/dbraw/zinc/53/44/81/1124534481.db2.gz FFCKNVLHHXJKEK-MGPUTAFESA-N 1 3 372.944 4.268 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@H]3CCCc4c3cnn4C)cc2)C1 ZINC000246928784 1124574720 /nfs/dbraw/zinc/57/47/20/1124574720.db2.gz HAZPLRHPIQNKLR-HMFYCAOWSA-N 1 3 366.553 4.065 20 0 FIADHO Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)C2 ZINC001168683856 1124801629 /nfs/dbraw/zinc/80/16/29/1124801629.db2.gz APMNAHDMRXGOHS-AMEVOLBXSA-N 1 3 366.936 4.307 20 0 FIADHO CCSc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000249058456 1124840105 /nfs/dbraw/zinc/84/01/05/1124840105.db2.gz ZJAUCQILUYIMDN-WKCHPHFGSA-N 1 3 367.562 4.479 20 0 FIADHO COc1cccc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000649417754 1124841651 /nfs/dbraw/zinc/84/16/51/1124841651.db2.gz DIRWBZARQDDIPJ-ROUUACIJSA-N 1 3 371.550 4.030 20 0 FIADHO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000089703437 1124929583 /nfs/dbraw/zinc/92/95/83/1124929583.db2.gz UVBAYVYRNFTYPJ-BFUOFWGJSA-N 1 3 369.336 4.071 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000090525015 1125001185 /nfs/dbraw/zinc/00/11/85/1125001185.db2.gz YWNAJUNHVYGPBI-AGRHKRQWSA-N 1 3 371.352 4.412 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000090525010 1125001582 /nfs/dbraw/zinc/00/15/82/1125001582.db2.gz YWNAJUNHVYGPBI-BKTGTZMESA-N 1 3 371.352 4.412 20 0 FIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1CN1CCCCC1 ZINC000182202438 1125287635 /nfs/dbraw/zinc/28/76/35/1125287635.db2.gz ZISFSSTZXPVSPW-PGRDOPGGSA-N 1 3 368.521 4.065 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccc(OC)c2)ccc1OC ZINC000182227309 1125301248 /nfs/dbraw/zinc/30/12/48/1125301248.db2.gz JBJOUIYKUZSBBS-KRWDZBQOSA-N 1 3 356.510 4.396 20 0 FIADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc(C)ccc1OC ZINC000093399078 1125319290 /nfs/dbraw/zinc/31/92/90/1125319290.db2.gz DTQKZWFTWKVCKH-NRFANRHFSA-N 1 3 356.510 4.185 20 0 FIADHO CCCCC/C(=C/c1ccccc1)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602278675 567962713 /nfs/dbraw/zinc/96/27/13/567962713.db2.gz YDFYQMURUWZTKU-MUGAAPJKSA-N 1 3 369.597 4.408 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)ccc1OC ZINC000182998480 1125714534 /nfs/dbraw/zinc/71/45/34/1125714534.db2.gz LEFFIMZILKWXRF-JKSUJKDBSA-N 1 3 373.541 4.424 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1CN1CCCCC1 ZINC000183129422 1125755129 /nfs/dbraw/zinc/75/51/29/1125755129.db2.gz LWJRRHHQIMPWBO-UOAUAQBLSA-N 1 3 372.553 4.289 20 0 FIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000154143112 1080004826 /nfs/dbraw/zinc/00/48/26/1080004826.db2.gz VNUZVJYIYFNABT-JPYJTQIMSA-N 1 3 364.533 4.290 20 0 FIADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000154143112 1080004834 /nfs/dbraw/zinc/00/48/34/1080004834.db2.gz VNUZVJYIYFNABT-JPYJTQIMSA-N 1 3 364.533 4.290 20 0 FIADHO C[C@@H]1C[N@H+](CCCNCc2ccc(N(C)c3ccccc3)cc2)CCCO1 ZINC000683344008 1080684158 /nfs/dbraw/zinc/68/41/58/1080684158.db2.gz HUSHQSQKCBPJBB-HXUWFJFHSA-N 1 3 367.537 4.045 20 0 FIADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(N(C)c3ccccc3)cc2)CCCO1 ZINC000683344008 1080684160 /nfs/dbraw/zinc/68/41/60/1080684160.db2.gz HUSHQSQKCBPJBB-HXUWFJFHSA-N 1 3 367.537 4.045 20 0 FIADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000109787464 1080753147 /nfs/dbraw/zinc/75/31/47/1080753147.db2.gz YGSPVEFKKVDBGX-UHFFFAOYSA-N 1 3 372.340 4.128 20 0 FIADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165715 1080816705 /nfs/dbraw/zinc/81/67/05/1080816705.db2.gz TUZWWDZQUMCFOE-WMLDXEAASA-N 1 3 363.299 4.042 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312496253 1080878569 /nfs/dbraw/zinc/87/85/69/1080878569.db2.gz KUCQSJVCRDSFNF-WFXMLNOXSA-N 1 3 368.521 4.265 20 0 FIADHO C[N@H+](CCCCNCc1oc2ccccc2c1Br)C1CC1 ZINC000655792856 1081205192 /nfs/dbraw/zinc/20/51/92/1081205192.db2.gz ROOPIEDXINDDHV-UHFFFAOYSA-N 1 3 351.288 4.159 20 0 FIADHO C[N@@H+](CCCCNCc1oc2ccccc2c1Br)C1CC1 ZINC000655792856 1081205197 /nfs/dbraw/zinc/20/51/97/1081205197.db2.gz ROOPIEDXINDDHV-UHFFFAOYSA-N 1 3 351.288 4.159 20 0 FIADHO C[C@H](O)[C@H]1CCCCN1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337092 1081469845 /nfs/dbraw/zinc/46/98/45/1081469845.db2.gz GZGCQRXXCLRXHP-NKKJXINNSA-N 1 3 366.549 4.138 20 0 FIADHO C[C@H](O)[C@H]1CCCCN1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337092 1081469851 /nfs/dbraw/zinc/46/98/51/1081469851.db2.gz GZGCQRXXCLRXHP-NKKJXINNSA-N 1 3 366.549 4.138 20 0 FIADHO C[NH+]1CCC(N[C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000123698027 1081522924 /nfs/dbraw/zinc/52/29/24/1081522924.db2.gz XLICAMGKZQSNEB-MOPGFXCFSA-N 1 3 367.940 4.077 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698448 1081595539 /nfs/dbraw/zinc/59/55/39/1081595539.db2.gz RFMYCAXVHFILTL-FPOVZHCZSA-N 1 3 368.521 4.267 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698448 1081595545 /nfs/dbraw/zinc/59/55/45/1081595545.db2.gz RFMYCAXVHFILTL-FPOVZHCZSA-N 1 3 368.521 4.267 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H](c1ccccc1)N(C)C ZINC000471601586 1082042453 /nfs/dbraw/zinc/04/24/53/1082042453.db2.gz JURLHZKSXPNEPE-PJIZGREPSA-N 1 3 357.586 4.311 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000471601587 1082042668 /nfs/dbraw/zinc/04/26/68/1082042668.db2.gz JURLHZKSXPNEPE-VKGYTVAMSA-N 1 3 357.586 4.311 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N1CCCCCC1 ZINC000510389889 1082477234 /nfs/dbraw/zinc/47/72/34/1082477234.db2.gz UHKABTCRXCCKQB-RTBURBONSA-N 1 3 357.542 4.264 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1CCCCCC1 ZINC000510389889 1082477246 /nfs/dbraw/zinc/47/72/46/1082477246.db2.gz UHKABTCRXCCKQB-RTBURBONSA-N 1 3 357.542 4.264 20 0 FIADHO c1ccc2c(c1)CN[C@H]2Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000656559932 1082578541 /nfs/dbraw/zinc/57/85/41/1082578541.db2.gz AWTGJWLYLULFJP-NRFANRHFSA-N 1 3 374.488 4.110 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)CC2)c1 ZINC000581517871 1082633585 /nfs/dbraw/zinc/63/35/85/1082633585.db2.gz BLOJQRXOYSLZPN-XMSQKQJNSA-N 1 3 356.554 4.360 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000510973761 1083542992 /nfs/dbraw/zinc/54/29/92/1083542992.db2.gz AUDUBFGAENQOQK-QVKFZJNVSA-N 1 3 372.484 4.113 20 0 FIADHO C[NH+]1CCC(CCO)(NCc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000584480333 1083803367 /nfs/dbraw/zinc/80/33/67/1083803367.db2.gz YHKUGZYQTACUNX-UHFFFAOYSA-N 1 3 364.942 4.005 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(Cc2ccccc2Br)CC1 ZINC000570035589 1083856228 /nfs/dbraw/zinc/85/62/28/1083856228.db2.gz LABKBYWBRVPUHT-AWEZNQCLSA-N 1 3 374.326 4.037 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1F ZINC000472459737 1083986563 /nfs/dbraw/zinc/98/65/63/1083986563.db2.gz PPQBHKCRUBIGKJ-HXUWFJFHSA-N 1 3 369.956 4.182 20 0 FIADHO COc1ccc([C@@H](NCC[C@@H]2CCC[N@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191428 1084775589 /nfs/dbraw/zinc/77/55/89/1084775589.db2.gz RWYKEDIKKRPDBM-JTSKRJEESA-N 1 3 356.485 4.245 20 0 FIADHO COc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191428 1084775592 /nfs/dbraw/zinc/77/55/92/1084775592.db2.gz RWYKEDIKKRPDBM-JTSKRJEESA-N 1 3 356.485 4.245 20 0 FIADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000075007588 1085509789 /nfs/dbraw/zinc/50/97/89/1085509789.db2.gz GSBYVTZSCDVIKD-UHFFFAOYSA-N 1 3 374.569 4.137 20 0 FIADHO CCCCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613001 1085690713 /nfs/dbraw/zinc/69/07/13/1085690713.db2.gz TXNHTNWTMMWALK-UHFFFAOYSA-N 1 3 367.537 4.262 20 0 FIADHO Clc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000657612980 1085691602 /nfs/dbraw/zinc/69/16/02/1085691602.db2.gz SGVVZLFNCANXKY-UHFFFAOYSA-N 1 3 364.320 4.390 20 0 FIADHO c1c2ccccc2sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613867 1085700150 /nfs/dbraw/zinc/70/01/50/1085700150.db2.gz VAFPUEYPXCDUMC-UHFFFAOYSA-N 1 3 351.519 4.298 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237526747 1085710398 /nfs/dbraw/zinc/71/03/98/1085710398.db2.gz XJBCYXNBYOJVKQ-LAUBAEHRSA-N 1 3 351.494 4.090 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237526747 1085710407 /nfs/dbraw/zinc/71/04/07/1085710407.db2.gz XJBCYXNBYOJVKQ-LAUBAEHRSA-N 1 3 351.494 4.090 20 0 FIADHO COCc1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000657659368 1085786487 /nfs/dbraw/zinc/78/64/87/1085786487.db2.gz GQOHMVOJCQQOIS-IBGZPJMESA-N 1 3 356.535 4.181 20 0 FIADHO COCc1csc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000657659368 1085786495 /nfs/dbraw/zinc/78/64/95/1085786495.db2.gz GQOHMVOJCQQOIS-IBGZPJMESA-N 1 3 356.535 4.181 20 0 FIADHO COc1ccc([C@H](N[C@H](C)C2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000090772240 1085882131 /nfs/dbraw/zinc/88/21/31/1085882131.db2.gz HERVJGPRHBBXKN-HXOBKFHXSA-N 1 3 368.521 4.113 20 0 FIADHO COc1ccccc1OC[C@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090937716 1085908441 /nfs/dbraw/zinc/90/84/41/1085908441.db2.gz DCDBCXZAABSXCJ-GOSISDBHSA-N 1 3 360.542 4.097 20 0 FIADHO [NH3+]Cc1ccc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000583084681 1086162323 /nfs/dbraw/zinc/16/23/23/1086162323.db2.gz KQMICFNVCGKBLN-UHFFFAOYSA-N 1 3 362.317 4.473 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000162903175 1086582448 /nfs/dbraw/zinc/58/24/48/1086582448.db2.gz FFRIJVBROARHSL-KRWDZBQOSA-N 1 3 351.494 4.092 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635004960 1086740683 /nfs/dbraw/zinc/74/06/83/1086740683.db2.gz GOZVDCUPRDPJBH-BEFAXECRSA-N 1 3 366.534 4.124 20 0 FIADHO CC(C)Sc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432430010 1086757386 /nfs/dbraw/zinc/75/73/86/1086757386.db2.gz RJRVIGFAGMOSGL-ROUUACIJSA-N 1 3 350.572 4.339 20 0 FIADHO CC(C)Sc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432430010 1086757391 /nfs/dbraw/zinc/75/73/91/1086757391.db2.gz RJRVIGFAGMOSGL-ROUUACIJSA-N 1 3 350.572 4.339 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427659 1086757456 /nfs/dbraw/zinc/75/74/56/1086757456.db2.gz DEAAFLUMQFXEHA-WMZHIEFXSA-N 1 3 370.512 4.200 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427659 1086757465 /nfs/dbraw/zinc/75/74/65/1086757465.db2.gz DEAAFLUMQFXEHA-WMZHIEFXSA-N 1 3 370.512 4.200 20 0 FIADHO [NH3+]CC1(CCN[C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000650745975 1086931803 /nfs/dbraw/zinc/93/18/03/1086931803.db2.gz SMWPWAXWSYAPPE-SFHVURJKSA-N 1 3 359.311 4.257 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CCCCC3)s2)C[C@@H](C)O1 ZINC000084018235 1087345312 /nfs/dbraw/zinc/34/53/12/1087345312.db2.gz JQVQJZPIVNLQHJ-IAGOWNOFSA-N 1 3 365.587 4.170 20 0 FIADHO FC(F)(F)Oc1ccccc1CCNC1CC[NH+](C2CCCC2)CC1 ZINC000090234874 1087405264 /nfs/dbraw/zinc/40/52/64/1087405264.db2.gz OLRNCMDKPZVFAT-UHFFFAOYSA-N 1 3 356.432 4.124 20 0 FIADHO FC(F)(F)Oc1ccccc1CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000090234874 1087405269 /nfs/dbraw/zinc/40/52/69/1087405269.db2.gz OLRNCMDKPZVFAT-UHFFFAOYSA-N 1 3 356.432 4.124 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657877040 1087521188 /nfs/dbraw/zinc/52/11/88/1087521188.db2.gz BGHOJWKYOZOKSD-GOSISDBHSA-N 1 3 352.975 4.427 20 0 FIADHO Cc1ccc2cc([C@H](C)NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)oc2c1 ZINC000658141923 1087733798 /nfs/dbraw/zinc/73/37/98/1087733798.db2.gz XVJXFVTZGLWDTJ-LAUBAEHRSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1ccc2cc([C@H](C)NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc2c1 ZINC000658141923 1087733807 /nfs/dbraw/zinc/73/38/07/1087733807.db2.gz XVJXFVTZGLWDTJ-LAUBAEHRSA-N 1 3 364.489 4.159 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143218 1087734745 /nfs/dbraw/zinc/73/47/45/1087734745.db2.gz XSORSJHFQDGXHX-YLJYHZDGSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143218 1087734753 /nfs/dbraw/zinc/73/47/53/1087734753.db2.gz XSORSJHFQDGXHX-YLJYHZDGSA-N 1 3 370.562 4.216 20 0 FIADHO Cc1ccc(CC[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658164483 1087759962 /nfs/dbraw/zinc/75/99/62/1087759962.db2.gz DSEXDFWISXSLRH-FQEVSTJZSA-N 1 3 351.538 4.213 20 0 FIADHO COCC[N@H+](C)CCCNCc1ccc(-c2ccc(Cl)cc2)s1 ZINC000518762322 1088242531 /nfs/dbraw/zinc/24/25/31/1088242531.db2.gz PNGNHCOPPVEYKS-UHFFFAOYSA-N 1 3 352.931 4.126 20 0 FIADHO COCC[N@@H+](C)CCCNCc1ccc(-c2ccc(Cl)cc2)s1 ZINC000518762322 1088242547 /nfs/dbraw/zinc/24/25/47/1088242547.db2.gz PNGNHCOPPVEYKS-UHFFFAOYSA-N 1 3 352.931 4.126 20 0 FIADHO COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000311196762 1088346151 /nfs/dbraw/zinc/34/61/51/1088346151.db2.gz ILTIAQJWAOZQQP-SFHVURJKSA-N 1 3 358.913 4.350 20 0 FIADHO FC(F)(F)c1ccc(-c2nc(CNCC[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414831743 1088374588 /nfs/dbraw/zinc/37/45/88/1088374588.db2.gz DPDNIHWSBHISMZ-CYBMUJFWSA-N 1 3 369.456 4.308 20 0 FIADHO CCOCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000782969813 1088771676 /nfs/dbraw/zinc/77/16/76/1088771676.db2.gz XNPOGKFTAGYDJF-UGKGYDQZSA-N 1 3 368.521 4.060 20 0 FIADHO [NH3+]Cc1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC000515176250 1089855248 /nfs/dbraw/zinc/85/52/48/1089855248.db2.gz FTGFLBZOGRACTQ-UHFFFAOYSA-N 1 3 373.216 4.216 20 0 FIADHO CO[C@@H](CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392954 1090017656 /nfs/dbraw/zinc/01/76/56/1090017656.db2.gz FUBBJGNKRPTJHF-JFSTXAPLSA-N 1 3 352.522 4.120 20 0 FIADHO CO[C@@H](CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392954 1090017665 /nfs/dbraw/zinc/01/76/65/1090017665.db2.gz FUBBJGNKRPTJHF-JFSTXAPLSA-N 1 3 352.522 4.120 20 0 FIADHO COc1ccc2c(c1F)CC[C@@H]2NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000584552517 1090085134 /nfs/dbraw/zinc/08/51/34/1090085134.db2.gz GIFGFTSBNFSMCH-FQEVSTJZSA-N 1 3 356.485 4.452 20 0 FIADHO COc1ccc2c(c1F)CC[C@@H]2NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000584552517 1090085148 /nfs/dbraw/zinc/08/51/48/1090085148.db2.gz GIFGFTSBNFSMCH-FQEVSTJZSA-N 1 3 356.485 4.452 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000181923261 1090317397 /nfs/dbraw/zinc/31/73/97/1090317397.db2.gz CBSRGFAPHRWDIT-KRWDZBQOSA-N 1 3 351.494 4.092 20 0 FIADHO COc1ccccc1Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192851579 1091208486 /nfs/dbraw/zinc/20/84/86/1091208486.db2.gz JUDLFDVNYJGUNL-YQQQUEKLSA-N 1 3 352.478 4.202 20 0 FIADHO Cc1ccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CCC2)cc1 ZINC000187377487 1091878369 /nfs/dbraw/zinc/87/83/69/1091878369.db2.gz REHGVGJTALBYSB-RJGXRXQPSA-N 1 3 356.554 4.194 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccccc2Br)C1 ZINC000520949770 1092375885 /nfs/dbraw/zinc/37/58/85/1092375885.db2.gz PZVLOTNAJKYSPM-HOTGVXAUSA-N 1 3 353.348 4.297 20 0 FIADHO COc1c(F)cccc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001143532372 1092683079 /nfs/dbraw/zinc/68/30/79/1092683079.db2.gz FUIIBHCYCVTXND-UHFFFAOYSA-N 1 3 368.496 4.322 20 0 FIADHO COCCC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865500 1092811771 /nfs/dbraw/zinc/81/17/71/1092811771.db2.gz UCMCIGGDJAAAAT-REWPJTCUSA-N 1 3 370.512 4.405 20 0 FIADHO COCCC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865500 1092811779 /nfs/dbraw/zinc/81/17/79/1092811779.db2.gz UCMCIGGDJAAAAT-REWPJTCUSA-N 1 3 370.512 4.405 20 0 FIADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2)cc1 ZINC000442868477 1092815111 /nfs/dbraw/zinc/81/51/11/1092815111.db2.gz CIZYMWUVTQWTBI-IBGZPJMESA-N 1 3 351.538 4.030 20 0 FIADHO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443062313 1092924146 /nfs/dbraw/zinc/92/41/46/1092924146.db2.gz UKORVFGXLCQIMZ-KNQAVFIVSA-N 1 3 365.521 4.044 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1OC ZINC000246031432 1092978537 /nfs/dbraw/zinc/97/85/37/1092978537.db2.gz MAMIWUIXBCKVFS-DQMRONCHSA-N 1 3 360.542 4.145 20 0 FIADHO CCN1CCC[C@H](C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000236932952 1092979928 /nfs/dbraw/zinc/97/99/28/1092979928.db2.gz ZJFMZHLPIMWZOH-HXUWFJFHSA-N 1 3 367.537 4.099 20 0 FIADHO C[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443212199 1092985979 /nfs/dbraw/zinc/98/59/79/1092985979.db2.gz LVBVCOCTQQFJLW-BBWFWOEESA-N 1 3 354.498 4.266 20 0 FIADHO CCOc1cc2nccc(N3CCC[N@@H+](C(C)(C)C)CC3)c2cc1OCC ZINC000522123647 1093108393 /nfs/dbraw/zinc/10/83/93/1093108393.db2.gz WOFQGVXDHKYBPT-UHFFFAOYSA-N 1 3 371.525 4.343 20 0 FIADHO CCOc1cc2nccc(N3CCC[N@H+](C(C)(C)C)CC3)c2cc1OCC ZINC000522123647 1093108401 /nfs/dbraw/zinc/10/84/01/1093108401.db2.gz WOFQGVXDHKYBPT-UHFFFAOYSA-N 1 3 371.525 4.343 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053381 1093153602 /nfs/dbraw/zinc/15/36/02/1093153602.db2.gz DLNHPEXIFYAQAU-MJGOQNOKSA-N 1 3 350.497 4.355 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474053380 1093153975 /nfs/dbraw/zinc/15/39/75/1093153975.db2.gz DLNHPEXIFYAQAU-IEBWSBKVSA-N 1 3 350.497 4.355 20 0 FIADHO CC[NH+](CC)CCOC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000443602762 1093313036 /nfs/dbraw/zinc/31/30/36/1093313036.db2.gz KPKJNINUQMKENR-FQEVSTJZSA-N 1 3 350.934 4.150 20 0 FIADHO COC[C@H](Cc1ccccc1)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168025321 1093431758 /nfs/dbraw/zinc/43/17/58/1093431758.db2.gz JJFKGNNSVATDHC-REHUZNOOSA-N 1 3 366.549 4.275 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000052209464 1093767610 /nfs/dbraw/zinc/76/76/10/1093767610.db2.gz YRIASQOHNUVWQB-UHFFFAOYSA-N 1 3 370.484 4.241 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000052209464 1093767616 /nfs/dbraw/zinc/76/76/16/1093767616.db2.gz YRIASQOHNUVWQB-UHFFFAOYSA-N 1 3 370.484 4.241 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221864 1094018631 /nfs/dbraw/zinc/01/86/31/1094018631.db2.gz FIDILZLDNQIPQG-PTUXOGIPSA-N 1 3 352.522 4.143 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221864 1094018636 /nfs/dbraw/zinc/01/86/36/1094018636.db2.gz FIDILZLDNQIPQG-PTUXOGIPSA-N 1 3 352.522 4.143 20 0 FIADHO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513678615 1094269828 /nfs/dbraw/zinc/26/98/28/1094269828.db2.gz PVOGIMNQNKQHER-YPAWHYETSA-N 1 3 358.570 4.066 20 0 FIADHO C[C@@H](NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1Cl ZINC000421822764 1095935947 /nfs/dbraw/zinc/93/59/47/1095935947.db2.gz BHZVHKIHPZNHDT-BRWVUGGUSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818873 1095952155 /nfs/dbraw/zinc/95/21/55/1095952155.db2.gz CXOZRMOZFBMPFL-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818873 1095952158 /nfs/dbraw/zinc/95/21/58/1095952158.db2.gz CXOZRMOZFBMPFL-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818873 1095952163 /nfs/dbraw/zinc/95/21/63/1095952163.db2.gz CXOZRMOZFBMPFL-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710859 1096460049 /nfs/dbraw/zinc/46/00/49/1096460049.db2.gz GGPSXIGDVIRGDC-XUZZJYLKSA-N 1 3 374.532 4.206 20 0 FIADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422732367 1096465740 /nfs/dbraw/zinc/46/57/40/1096465740.db2.gz PTEPOLOLCITCRB-MOPGFXCFSA-N 1 3 370.368 4.207 20 0 FIADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422735375 1096467798 /nfs/dbraw/zinc/46/77/98/1096467798.db2.gz UPBVDRAGUMNLTP-BEFAXECRSA-N 1 3 370.368 4.065 20 0 FIADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422735379 1096467973 /nfs/dbraw/zinc/46/79/73/1096467973.db2.gz UPBVDRAGUMNLTP-HNAYVOBHSA-N 1 3 370.368 4.065 20 0 FIADHO COc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC1CCCC1 ZINC000422719556 1096470551 /nfs/dbraw/zinc/47/05/51/1096470551.db2.gz YSCIZDAEQISROZ-HNNXBMFYSA-N 1 3 369.509 4.030 20 0 FIADHO CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422892305 1096516549 /nfs/dbraw/zinc/51/65/49/1096516549.db2.gz MPZQDXJVZYRABA-CABCVRRESA-N 1 3 357.498 4.058 20 0 FIADHO CC(C)Oc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422897361 1096518064 /nfs/dbraw/zinc/51/80/64/1096518064.db2.gz ZSRZYBZCWNYCRJ-HYVJGQCMSA-N 1 3 366.505 4.380 20 0 FIADHO Clc1ccc([C@@H]2OCC[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423020007 1096551444 /nfs/dbraw/zinc/55/14/44/1096551444.db2.gz YFSTUJDAIZHCMN-TUFLPTIASA-N 1 3 356.897 4.253 20 0 FIADHO Clc1ccc([C@@H]2OCC[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423020005 1096551803 /nfs/dbraw/zinc/55/18/03/1096551803.db2.gz YFSTUJDAIZHCMN-BURNTYAHSA-N 1 3 356.897 4.253 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423025355 1096554307 /nfs/dbraw/zinc/55/43/07/1096554307.db2.gz LLDICOAHAOKZDL-GFCCVEGCSA-N 1 3 368.308 4.023 20 0 FIADHO Fc1ccc2c(c1)[C@@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089882 1096571334 /nfs/dbraw/zinc/57/13/34/1096571334.db2.gz WETDCLKTZGYCIL-TUNNFDKTSA-N 1 3 352.453 4.049 20 0 FIADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423104019 1096582671 /nfs/dbraw/zinc/58/26/71/1096582671.db2.gz PMUDPNVXMUEXIA-YESZJQIVSA-N 1 3 364.942 4.110 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423113087 1096585620 /nfs/dbraw/zinc/58/56/20/1096585620.db2.gz YIVXSSRVGYSJLT-QKKBWIMNSA-N 1 3 373.928 4.321 20 0 FIADHO FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000503950473 1096602029 /nfs/dbraw/zinc/60/20/29/1096602029.db2.gz UHFIVSARMDGUJI-LASHMREHSA-N 1 3 364.480 4.037 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000467312451 1096633711 /nfs/dbraw/zinc/63/37/11/1096633711.db2.gz FCMBFWIUSXDXMV-NRFANRHFSA-N 1 3 354.469 4.207 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000423290427 1096635772 /nfs/dbraw/zinc/63/57/72/1096635772.db2.gz CXGJZLNMUPOLDH-VOJFVSQTSA-N 1 3 363.274 4.385 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000423291465 1096635915 /nfs/dbraw/zinc/63/59/15/1096635915.db2.gz IJMKEVKONNHEMH-PIGZYNQJSA-N 1 3 363.274 4.385 20 0 FIADHO Cc1c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1-c1ccc(F)cc1 ZINC000423290909 1096636069 /nfs/dbraw/zinc/63/60/69/1096636069.db2.gz FWUIXTDDFFDNML-HUUCEWRRSA-N 1 3 352.457 4.190 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292663 1096636297 /nfs/dbraw/zinc/63/62/97/1096636297.db2.gz NURYCSMUUFAIJF-DLBZAZTESA-N 1 3 368.525 4.431 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423297290 1096644347 /nfs/dbraw/zinc/64/43/47/1096644347.db2.gz JQRCOFLPIRCRBF-GHMZBOCLSA-N 1 3 368.344 4.126 20 0 FIADHO CCCC[C@@H](C[NH3+])N[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298609 1096644607 /nfs/dbraw/zinc/64/46/07/1096644607.db2.gz OTPPVXRSFRUNBR-ROUUACIJSA-N 1 3 369.347 4.024 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423296172 1096644805 /nfs/dbraw/zinc/64/48/05/1096644805.db2.gz YNWNWOZDHINKDT-HOTGVXAUSA-N 1 3 354.498 4.087 20 0 FIADHO C[C@H](CCCC(F)(F)F)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423360027 1096656382 /nfs/dbraw/zinc/65/63/82/1096656382.db2.gz FEUVFVWVWFHAKY-FFSVYQOJSA-N 1 3 350.375 4.121 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CCNC[C@H]2C)nc1 ZINC000423406259 1096673607 /nfs/dbraw/zinc/67/36/07/1096673607.db2.gz UMYLPTRRAHIGLJ-XGRCMKMKSA-N 1 3 371.956 4.039 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423470577 1096692979 /nfs/dbraw/zinc/69/29/79/1096692979.db2.gz LKTSIEPUDFUPOL-FJPWCDISSA-N 1 3 352.497 4.301 20 0 FIADHO c1cc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000436279637 1098882548 /nfs/dbraw/zinc/88/25/48/1098882548.db2.gz ISUQUZGTGOXKOG-UHFFFAOYSA-N 1 3 352.507 4.024 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000161782146 1099537001 /nfs/dbraw/zinc/53/70/01/1099537001.db2.gz ULNOEQWMOQIRFB-MRXNPFEDSA-N 1 3 358.555 4.286 20 0 FIADHO CC(C)N(C)c1ccccc1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000437075830 1099580206 /nfs/dbraw/zinc/58/02/06/1099580206.db2.gz MOIDASDFOGTJKC-IBGZPJMESA-N 1 3 369.553 4.322 20 0 FIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000123722744 1099602718 /nfs/dbraw/zinc/60/27/18/1099602718.db2.gz PFYGOFMQLKFVIV-AWEZNQCLSA-N 1 3 352.400 4.498 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125938 1099645005 /nfs/dbraw/zinc/64/50/05/1099645005.db2.gz HAPKXCNRQPQYTP-GHTZIAJQSA-N 1 3 352.526 4.012 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125938 1099645010 /nfs/dbraw/zinc/64/50/10/1099645010.db2.gz HAPKXCNRQPQYTP-GHTZIAJQSA-N 1 3 352.526 4.012 20 0 FIADHO C[C@@H]1c2cccn2CCN1CCCCCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000729815062 1099697647 /nfs/dbraw/zinc/69/76/47/1099697647.db2.gz NAWFDWDRBUZKDE-WOJBJXKFSA-N 1 3 354.542 4.303 20 0 FIADHO C[C@@H]1c2cccn2CCN1CCCCCC[N@H+]1CCn2cccc2[C@H]1C ZINC000729815062 1099697651 /nfs/dbraw/zinc/69/76/51/1099697651.db2.gz NAWFDWDRBUZKDE-WOJBJXKFSA-N 1 3 354.542 4.303 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)ccc1SC ZINC000162516865 1099824696 /nfs/dbraw/zinc/82/46/96/1099824696.db2.gz VQFXBDLSUDMTPN-INIZCTEOSA-N 1 3 374.550 4.208 20 0 FIADHO CC(C)Oc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162576652 1099885385 /nfs/dbraw/zinc/88/53/85/1099885385.db2.gz YRQDOISNLLZIHK-GOSISDBHSA-N 1 3 356.510 4.265 20 0 FIADHO C[C@H](N[C@@H](CCCO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713919 1099885962 /nfs/dbraw/zinc/88/59/62/1099885962.db2.gz GOOBVPBIKZZVJD-VJBMBRPKSA-N 1 3 352.522 4.000 20 0 FIADHO C[C@H](N[C@@H](CCCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713919 1099885973 /nfs/dbraw/zinc/88/59/73/1099885973.db2.gz GOOBVPBIKZZVJD-VJBMBRPKSA-N 1 3 352.522 4.000 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000162574540 1099903868 /nfs/dbraw/zinc/90/38/68/1099903868.db2.gz DGNGLYVIGALFOF-HNNXBMFYSA-N 1 3 366.427 4.497 20 0 FIADHO CO[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721162 1099939583 /nfs/dbraw/zinc/93/95/83/1099939583.db2.gz UANVVRIKQWTLBG-NQSCKRDGSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721162 1099939585 /nfs/dbraw/zinc/93/95/85/1099939585.db2.gz UANVVRIKQWTLBG-NQSCKRDGSA-N 1 3 356.485 4.013 20 0 FIADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000508721162 1099939591 /nfs/dbraw/zinc/93/95/91/1099939591.db2.gz UANVVRIKQWTLBG-NQSCKRDGSA-N 1 3 356.485 4.013 20 0 FIADHO Cc1noc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459517742 1100255824 /nfs/dbraw/zinc/25/58/24/1100255824.db2.gz FWZPPSALFOUYMV-OAQYLSRUSA-N 1 3 368.525 4.035 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536858613 1100375306 /nfs/dbraw/zinc/37/53/06/1100375306.db2.gz QZTWFYIBZIMBPR-KURKYZTESA-N 1 3 350.572 4.339 20 0 FIADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000536860368 1100376612 /nfs/dbraw/zinc/37/66/12/1100376612.db2.gz YZWLFHBEWJDTLU-FCEWJHQRSA-N 1 3 370.484 4.218 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000536861957 1100379380 /nfs/dbraw/zinc/37/93/80/1100379380.db2.gz IKPHQBXLUAJAPT-RKVPGOIHSA-N 1 3 368.974 4.356 20 0 FIADHO Brc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000426325184 1101259783 /nfs/dbraw/zinc/25/97/83/1101259783.db2.gz UMODVYFKWBLHCM-CVEARBPZSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000426325184 1101259795 /nfs/dbraw/zinc/25/97/95/1101259795.db2.gz UMODVYFKWBLHCM-CVEARBPZSA-N 1 3 363.343 4.087 20 0 FIADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000537306043 1101630910 /nfs/dbraw/zinc/63/09/10/1101630910.db2.gz BRPKJBGZDZIRBI-ORYQWCPZSA-N 1 3 370.537 4.414 20 0 FIADHO COc1ccccc1CC1([NH3+])CCN([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168168766 1101831834 /nfs/dbraw/zinc/83/18/34/1101831834.db2.gz VJCIWJPNOQJPER-KRWDZBQOSA-N 1 3 372.940 4.316 20 0 FIADHO C[C@@H](CC[NH2+]Cc1cnc(-c2ccncc2)s1)N(C)Cc1ccccc1 ZINC000440324074 1102210760 /nfs/dbraw/zinc/21/07/60/1102210760.db2.gz FFIBGICWKUFXOQ-KRWDZBQOSA-N 1 3 366.534 4.205 20 0 FIADHO COc1ccc(-c2ccncc2)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415053694 1102269289 /nfs/dbraw/zinc/26/92/89/1102269289.db2.gz MRCRSJWIXCXUKY-QFIPXVFZSA-N 1 3 361.489 4.327 20 0 FIADHO C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000648506063 1102297048 /nfs/dbraw/zinc/29/70/48/1102297048.db2.gz QJDFWGKNZYGZFL-DOTOQJQBSA-N 1 3 369.896 4.481 20 0 FIADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH+](C)C)cc1)CCCS2 ZINC000187706244 1102302219 /nfs/dbraw/zinc/30/22/19/1102302219.db2.gz UNPOEVGASAGOFD-HXUWFJFHSA-N 1 3 356.535 4.474 20 0 FIADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000550861102 1102645263 /nfs/dbraw/zinc/64/52/63/1102645263.db2.gz WETNHCIGGUAJLC-YPAWHYETSA-N 1 3 356.554 4.084 20 0 FIADHO COc1cc(C)c([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000123005591 1102725553 /nfs/dbraw/zinc/72/55/53/1102725553.db2.gz DWXFPGHKOOSEAN-GOSISDBHSA-N 1 3 368.521 4.459 20 0 FIADHO COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCC2)cc1 ZINC001167978257 1102741958 /nfs/dbraw/zinc/74/19/58/1102741958.db2.gz NHDUNHXQIIEARJ-SEJPIABJSA-N 1 3 354.538 4.155 20 0 FIADHO CCCCN1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000312368697 1102970445 /nfs/dbraw/zinc/97/04/45/1102970445.db2.gz LZEKEFWMSNBOIP-CQSZACIVSA-N 1 3 357.361 4.352 20 0 FIADHO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265354 1103024322 /nfs/dbraw/zinc/02/43/22/1103024322.db2.gz UBCBRZOUMSWCAD-NZQKXSOJSA-N 1 3 370.581 4.474 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000551268150 1103027520 /nfs/dbraw/zinc/02/75/20/1103027520.db2.gz PEAHATALRNROFW-JOCHJYFZSA-N 1 3 368.521 4.280 20 0 FIADHO Cc1noc(C)c1C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245651659 1103308882 /nfs/dbraw/zinc/30/88/82/1103308882.db2.gz CSYDHKLPYCEYCN-DOVSJBTNSA-N 1 3 353.510 4.008 20 0 FIADHO Cc1noc(C)c1C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245651659 1103308899 /nfs/dbraw/zinc/30/88/99/1103308899.db2.gz CSYDHKLPYCEYCN-DOVSJBTNSA-N 1 3 353.510 4.008 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCOC1CCCCC1)c1ccccc1O2 ZINC000538269495 1104091612 /nfs/dbraw/zinc/09/16/12/1104091612.db2.gz BYDKSEFFRHCGRK-NRFANRHFSA-N 1 3 372.553 4.304 20 0 FIADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000520343993 1104285133 /nfs/dbraw/zinc/28/51/33/1104285133.db2.gz SRLYFAANSNFWQJ-TZIWHRDSSA-N 1 3 358.570 4.330 20 0 FIADHO Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394961 1104329354 /nfs/dbraw/zinc/32/93/54/1104329354.db2.gz QFBIAHQGEOXWAT-IERDGZPVSA-N 1 3 371.912 4.444 20 0 FIADHO Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394961 1104329364 /nfs/dbraw/zinc/32/93/64/1104329364.db2.gz QFBIAHQGEOXWAT-IERDGZPVSA-N 1 3 371.912 4.444 20 0 FIADHO Clc1ccc(-c2cnc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976680 1104484719 /nfs/dbraw/zinc/48/47/19/1104484719.db2.gz RZXJLUBFSBBHOK-DLBZAZTESA-N 1 3 359.901 4.207 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000221982582 1104990423 /nfs/dbraw/zinc/99/04/23/1104990423.db2.gz VHBOYJAZPFNYGJ-QGZVFWFLSA-N 1 3 351.332 4.289 20 0 FIADHO COCCCN1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000237208172 1105064471 /nfs/dbraw/zinc/06/44/71/1105064471.db2.gz RVDBWOYOSMSBSU-UHFFFAOYSA-N 1 3 362.901 4.191 20 0 FIADHO CCCC[N@H+](C)CC1CCN([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000520793176 1105357322 /nfs/dbraw/zinc/35/73/22/1105357322.db2.gz QXRMXHLQMQCING-JOCHJYFZSA-N 1 3 373.585 4.040 20 0 FIADHO CCCC[N@@H+](C)CC1CCN([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000520793176 1105357329 /nfs/dbraw/zinc/35/73/29/1105357329.db2.gz QXRMXHLQMQCING-JOCHJYFZSA-N 1 3 373.585 4.040 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1C ZINC000301467723 1107038740 /nfs/dbraw/zinc/03/87/40/1107038740.db2.gz QWWDEIMHRLLRBA-MRXNPFEDSA-N 1 3 372.310 4.065 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@H](NC[C@@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152468279 1107775903 /nfs/dbraw/zinc/77/59/03/1107775903.db2.gz YSDKGPANRGLMSL-KBXCAEBGSA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@H](NC[C@@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152468279 1107775920 /nfs/dbraw/zinc/77/59/20/1107775920.db2.gz YSDKGPANRGLMSL-KBXCAEBGSA-N 1 3 371.525 4.401 20 0 FIADHO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000531707114 1108085733 /nfs/dbraw/zinc/08/57/33/1108085733.db2.gz ZPJDGOIDLNDVSM-SUNYJGFJSA-N 1 3 358.448 4.311 20 0 FIADHO COc1ccc(C[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692701 1108096948 /nfs/dbraw/zinc/09/69/48/1108096948.db2.gz VUNSVBBOLJTPGQ-NYDSKATKSA-N 1 3 368.521 4.060 20 0 FIADHO COc1ccc(C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692701 1108096967 /nfs/dbraw/zinc/09/69/67/1108096967.db2.gz VUNSVBBOLJTPGQ-NYDSKATKSA-N 1 3 368.521 4.060 20 0 FIADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1oc2ccccc2c1CN(C)C ZINC000909608360 1108124988 /nfs/dbraw/zinc/12/49/88/1108124988.db2.gz QJEHOUFUZKXNKF-UHFFFAOYSA-N 1 3 365.477 4.117 20 0 FIADHO Clc1ccc([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000453112605 1108181324 /nfs/dbraw/zinc/18/13/24/1108181324.db2.gz QYPTWSTVPOJNGQ-HRAATJIYSA-N 1 3 362.945 4.272 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208585 1108277767 /nfs/dbraw/zinc/27/77/67/1108277767.db2.gz CHGGIICGGLSGCJ-TZIWHRDSSA-N 1 3 374.532 4.260 20 0 FIADHO C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000453265842 1108340485 /nfs/dbraw/zinc/34/04/85/1108340485.db2.gz DBAOKAPCQAEVTB-LLGFUMIMSA-N 1 3 354.494 4.190 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000531944049 1108388099 /nfs/dbraw/zinc/38/80/99/1108388099.db2.gz VOMRXFFPPBIJQW-GOSISDBHSA-N 1 3 374.573 4.331 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000531960119 1108453124 /nfs/dbraw/zinc/45/31/24/1108453124.db2.gz AURQBKMHLCEFQP-QFIPXVFZSA-N 1 3 370.562 4.137 20 0 FIADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428463714 1109407072 /nfs/dbraw/zinc/40/70/72/1109407072.db2.gz PTQNLNLZXMGBPV-BDKRGJGYSA-N 1 3 358.570 4.064 20 0 FIADHO Cc1cc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000447560013 1109581935 /nfs/dbraw/zinc/58/19/35/1109581935.db2.gz BSYMKQADEDAUGK-HZPDHXFCSA-N 1 3 359.489 4.199 20 0 FIADHO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)o1 ZINC000447560013 1109581939 /nfs/dbraw/zinc/58/19/39/1109581939.db2.gz BSYMKQADEDAUGK-HZPDHXFCSA-N 1 3 359.489 4.199 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000508605160 1109605773 /nfs/dbraw/zinc/60/57/73/1109605773.db2.gz RXVRMVURJYRYFV-FHWLQOOXSA-N 1 3 357.542 4.118 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3cc[nH]c3c2)cc1 ZINC000527637628 1109792363 /nfs/dbraw/zinc/79/23/63/1109792363.db2.gz KMQJLNJVSNRPAJ-UHFFFAOYSA-N 1 3 351.494 4.178 20 0 FIADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)OC)c1 ZINC000527732913 1109813711 /nfs/dbraw/zinc/81/37/11/1109813711.db2.gz BOGCHZXLPSRYPP-HARLFGEKSA-N 1 3 368.521 4.025 20 0 FIADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)OC)c1 ZINC000527732913 1109813716 /nfs/dbraw/zinc/81/37/16/1109813716.db2.gz BOGCHZXLPSRYPP-HARLFGEKSA-N 1 3 368.521 4.025 20 0 FIADHO COC[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143887 1109984741 /nfs/dbraw/zinc/98/47/41/1109984741.db2.gz YANZVHBNWQQUNB-WMZHIEFXSA-N 1 3 352.522 4.059 20 0 FIADHO COC[C@@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143885 1109985103 /nfs/dbraw/zinc/98/51/03/1109985103.db2.gz YANZVHBNWQQUNB-AUSIDOKSSA-N 1 3 352.522 4.059 20 0 FIADHO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343042 1110034884 /nfs/dbraw/zinc/03/48/84/1110034884.db2.gz HFXDGLUAUMKDHU-TZIWHRDSSA-N 1 3 358.570 4.330 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C[C@@H](C)O1 ZINC000539260750 1111497838 /nfs/dbraw/zinc/49/78/38/1111497838.db2.gz HGIFUDCIVZITRY-MDZRGWNJSA-N 1 3 366.933 4.033 20 0 FIADHO CC[C@@H](NCC1(CC)CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000539294334 1111505169 /nfs/dbraw/zinc/50/51/69/1111505169.db2.gz BWBRUEABHBGNHD-HXUWFJFHSA-N 1 3 354.542 4.153 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCc3ccccc31)c1ccccc1O2 ZINC000539396678 1111552950 /nfs/dbraw/zinc/55/29/50/1111552950.db2.gz MLBCNNOPGHAKSZ-KNQAVFIVSA-N 1 3 362.517 4.294 20 0 FIADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000552087532 1111569537 /nfs/dbraw/zinc/56/95/37/1111569537.db2.gz KNJGIVWMHCWKAF-OEMFJLHTSA-N 1 3 363.549 4.213 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477915477 1111597574 /nfs/dbraw/zinc/59/75/74/1111597574.db2.gz CHAUONBHDCLTGD-OAHLLOKOSA-N 1 3 358.555 4.286 20 0 FIADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477915544 1111597795 /nfs/dbraw/zinc/59/77/95/1111597795.db2.gz KVUYHKATHKCBJA-MRXNPFEDSA-N 1 3 365.949 4.077 20 0 FIADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477915544 1111597799 /nfs/dbraw/zinc/59/77/99/1111597799.db2.gz KVUYHKATHKCBJA-MRXNPFEDSA-N 1 3 365.949 4.077 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000479055239 1111938028 /nfs/dbraw/zinc/93/80/28/1111938028.db2.gz GXTOKFXUXLOGOY-GQIGUUNPSA-N 1 3 354.485 4.141 20 0 FIADHO CCCCN1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479081492 1111945812 /nfs/dbraw/zinc/94/58/12/1111945812.db2.gz UULNHKPKEUOURB-NRFANRHFSA-N 1 3 352.526 4.104 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290015 1111986462 /nfs/dbraw/zinc/98/64/62/1111986462.db2.gz XFGXJRFNDLCHCK-DOTOQJQBSA-N 1 3 353.348 4.090 20 0 FIADHO CC1(C)C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367207 1112002085 /nfs/dbraw/zinc/00/20/85/1112002085.db2.gz WEEBUOHCQHLBOQ-UGSOOPFHSA-N 1 3 363.343 4.245 20 0 FIADHO CC1(C)C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367207 1112002089 /nfs/dbraw/zinc/00/20/89/1112002089.db2.gz WEEBUOHCQHLBOQ-UGSOOPFHSA-N 1 3 363.343 4.245 20 0 FIADHO COC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449102 1112027374 /nfs/dbraw/zinc/02/73/74/1112027374.db2.gz UGCLSARJYOXCSM-GHTZIAJQSA-N 1 3 358.913 4.139 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464294 1112034406 /nfs/dbraw/zinc/03/44/06/1112034406.db2.gz LPCSBUDWUKUGQD-TZIWHRDSSA-N 1 3 360.505 4.045 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464294 1112034410 /nfs/dbraw/zinc/03/44/10/1112034410.db2.gz LPCSBUDWUKUGQD-TZIWHRDSSA-N 1 3 360.505 4.045 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635485 1112523398 /nfs/dbraw/zinc/52/33/98/1112523398.db2.gz AIJMLZTYJKSCJK-MSOLQXFVSA-N 1 3 366.505 4.498 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635485 1112523403 /nfs/dbraw/zinc/52/34/03/1112523403.db2.gz AIJMLZTYJKSCJK-MSOLQXFVSA-N 1 3 366.505 4.498 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000480726229 1112573233 /nfs/dbraw/zinc/57/32/33/1112573233.db2.gz GMFZWOSDHYFJOD-JOCHJYFZSA-N 1 3 368.521 4.411 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000481313116 1112897342 /nfs/dbraw/zinc/89/73/42/1112897342.db2.gz JDLCVSDMDGHJDH-KNQAVFIVSA-N 1 3 374.569 4.235 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+]CC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000555611993 1112946491 /nfs/dbraw/zinc/94/64/91/1112946491.db2.gz FZSOBJSVZBLWFW-JOCHJYFZSA-N 1 3 356.554 4.085 20 0 FIADHO C[C@H](NCc1ccccc1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000481710373 1113050327 /nfs/dbraw/zinc/05/03/27/1113050327.db2.gz BOYCPVVQXPZSIQ-HNNXBMFYSA-N 1 3 366.427 4.497 20 0 FIADHO c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCCOc4ccccc43)C2)c1 ZINC000482131244 1113184698 /nfs/dbraw/zinc/18/46/98/1113184698.db2.gz WWAVYYGBNOUZGL-YLJYHZDGSA-N 1 3 356.535 4.464 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCCOc4ccccc43)C2)c1 ZINC000482131244 1113184699 /nfs/dbraw/zinc/18/46/99/1113184699.db2.gz WWAVYYGBNOUZGL-YLJYHZDGSA-N 1 3 356.535 4.464 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326634 1113226258 /nfs/dbraw/zinc/22/62/58/1113226258.db2.gz ZDZURPNMNTWDMG-RDTXWAMCSA-N 1 3 356.432 4.283 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333080 1113228077 /nfs/dbraw/zinc/22/80/77/1113228077.db2.gz ZCYABYSJPOXUOV-CVEARBPZSA-N 1 3 358.448 4.399 20 0 FIADHO CCc1nc2c(s1)[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000162920993 1113249581 /nfs/dbraw/zinc/24/95/81/1113249581.db2.gz TZEZKVXDOFCBCW-SFHVURJKSA-N 1 3 355.551 4.469 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000482442951 1113258078 /nfs/dbraw/zinc/25/80/78/1113258078.db2.gz ZYHSOWFROUIPPV-HYBUGGRVSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442951 1113258082 /nfs/dbraw/zinc/25/80/82/1113258082.db2.gz ZYHSOWFROUIPPV-HYBUGGRVSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CCC2 ZINC000482442951 1113258086 /nfs/dbraw/zinc/25/80/86/1113258086.db2.gz ZYHSOWFROUIPPV-HYBUGGRVSA-N 1 3 364.533 4.227 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000483140250 1113451889 /nfs/dbraw/zinc/45/18/89/1113451889.db2.gz PSAYFFUNYDGQKV-JZXOWHBKSA-N 1 3 350.572 4.024 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000483140250 1113451891 /nfs/dbraw/zinc/45/18/91/1113451891.db2.gz PSAYFFUNYDGQKV-JZXOWHBKSA-N 1 3 350.572 4.024 20 0 FIADHO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486489866 1113577360 /nfs/dbraw/zinc/57/73/60/1113577360.db2.gz PFPCJMJRTUMCPP-AUSIDOKSSA-N 1 3 374.532 4.087 20 0 FIADHO C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486489866 1113577364 /nfs/dbraw/zinc/57/73/64/1113577364.db2.gz PFPCJMJRTUMCPP-AUSIDOKSSA-N 1 3 374.532 4.087 20 0 FIADHO C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486489866 1113577367 /nfs/dbraw/zinc/57/73/67/1113577367.db2.gz PFPCJMJRTUMCPP-AUSIDOKSSA-N 1 3 374.532 4.087 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000486702177 1113625761 /nfs/dbraw/zinc/62/57/61/1113625761.db2.gz PQXUEEHVXNIDJF-UHFFFAOYSA-N 1 3 369.484 4.317 20 0 FIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708762 1113626904 /nfs/dbraw/zinc/62/69/04/1113626904.db2.gz KHDXSYZFXXNAEB-KKSFZXQISA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708762 1113626907 /nfs/dbraw/zinc/62/69/07/1113626907.db2.gz KHDXSYZFXXNAEB-KKSFZXQISA-N 1 3 351.469 4.307 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000669614551 1115667879 /nfs/dbraw/zinc/66/78/79/1115667879.db2.gz YLSRVWJVXMPCTO-NZQKXSOJSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614551 1115667881 /nfs/dbraw/zinc/66/78/81/1115667881.db2.gz YLSRVWJVXMPCTO-NZQKXSOJSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000669614551 1115667884 /nfs/dbraw/zinc/66/78/84/1115667884.db2.gz YLSRVWJVXMPCTO-NZQKXSOJSA-N 1 3 364.533 4.227 20 0 FIADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000669703969 1115831377 /nfs/dbraw/zinc/83/13/77/1115831377.db2.gz ZUTIUHNIKAXKHO-MFKCLSPESA-N 1 3 356.554 4.082 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000607384298 1116021340 /nfs/dbraw/zinc/02/13/40/1116021340.db2.gz RVCXKNGNBSHZFO-SFHVURJKSA-N 1 3 365.521 4.232 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000607384298 1116021343 /nfs/dbraw/zinc/02/13/43/1116021343.db2.gz RVCXKNGNBSHZFO-SFHVURJKSA-N 1 3 365.521 4.232 20 0 FIADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000534705684 1116227618 /nfs/dbraw/zinc/22/76/18/1116227618.db2.gz NHPHJGVMHYAROS-UHFFFAOYSA-N 1 3 365.477 4.117 20 0 FIADHO c1onc(Cc2ccccc2)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000508853902 1116345183 /nfs/dbraw/zinc/34/51/83/1116345183.db2.gz DHSSLYBVQRGUSX-UHFFFAOYSA-N 1 3 367.537 4.353 20 0 FIADHO Cc1nc2ccccn2c1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000539831737 1116388341 /nfs/dbraw/zinc/38/83/41/1116388341.db2.gz DPDKPTLAXZWULO-GHTZIAJQSA-N 1 3 362.521 4.128 20 0 FIADHO Cc1nc2ccccn2c1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000539831737 1116388343 /nfs/dbraw/zinc/38/83/43/1116388343.db2.gz DPDKPTLAXZWULO-GHTZIAJQSA-N 1 3 362.521 4.128 20 0 FIADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3cc(C)cc(C)c3)cc2)CC1 ZINC000462683779 1116390365 /nfs/dbraw/zinc/39/03/65/1116390365.db2.gz NXGPCAJMIILVKP-UHFFFAOYSA-N 1 3 365.565 4.088 20 0 FIADHO Oc1ccc2c(c1)[C@@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CCC2 ZINC000462809516 1117780649 /nfs/dbraw/zinc/78/06/49/1117780649.db2.gz BMQVQCLULBSVGP-QHCPKHFHSA-N 1 3 366.505 4.034 20 0 FIADHO Oc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887422 1117828747 /nfs/dbraw/zinc/82/87/47/1117828747.db2.gz JMABKFIZQDTIGG-KKSFZXQISA-N 1 3 356.535 4.333 20 0 FIADHO Oc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887422 1117828754 /nfs/dbraw/zinc/82/87/54/1117828754.db2.gz JMABKFIZQDTIGG-KKSFZXQISA-N 1 3 356.535 4.333 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000540170947 1117912290 /nfs/dbraw/zinc/91/22/90/1117912290.db2.gz NGLJQSCSCOHKIM-OAGGEKHMSA-N 1 3 374.447 4.125 20 0 FIADHO COc1ccc([C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302002 1117976459 /nfs/dbraw/zinc/97/64/59/1117976459.db2.gz MHHQNCUBVRHZEM-HYBUGGRVSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302002 1117976461 /nfs/dbraw/zinc/97/64/61/1117976461.db2.gz MHHQNCUBVRHZEM-HYBUGGRVSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302002 1117976465 /nfs/dbraw/zinc/97/64/65/1117976465.db2.gz MHHQNCUBVRHZEM-HYBUGGRVSA-N 1 3 364.533 4.301 20 0 FIADHO C[C@H]1C[C@H](NCc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130465 1117976729 /nfs/dbraw/zinc/97/67/29/1117976729.db2.gz WNWLUKXCYQRGBI-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@H](NCc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130465 1117976730 /nfs/dbraw/zinc/97/67/30/1117976730.db2.gz WNWLUKXCYQRGBI-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000463120469 1117979220 /nfs/dbraw/zinc/97/92/20/1117979220.db2.gz VYRKYIMYTZSIKZ-OYDLWJJNSA-N 1 3 365.565 4.240 20 0 FIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000540354099 1117998236 /nfs/dbraw/zinc/99/82/36/1117998236.db2.gz LETHXBGDORHPLX-RXVVDRJESA-N 1 3 353.510 4.186 20 0 FIADHO CC[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1F ZINC000463194969 1118010225 /nfs/dbraw/zinc/01/02/25/1118010225.db2.gz XOCRKHRGKFBQME-OAQYLSRUSA-N 1 3 370.512 4.280 20 0 FIADHO CC[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1F ZINC000463194968 1118010738 /nfs/dbraw/zinc/01/07/38/1118010738.db2.gz XOCRKHRGKFBQME-NRFANRHFSA-N 1 3 370.512 4.280 20 0 FIADHO Clc1ccccc1OCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463203999 1118019673 /nfs/dbraw/zinc/01/96/73/1118019673.db2.gz HSDZLEJCVMILSS-UHFFFAOYSA-N 1 3 358.913 4.016 20 0 FIADHO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540475941 1118077116 /nfs/dbraw/zinc/07/71/16/1118077116.db2.gz WOHNZSQBQKPVMS-QFBILLFUSA-N 1 3 356.535 4.257 20 0 FIADHO C[C@@H]1CCCC[C@H]1OCCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540475536 1118077976 /nfs/dbraw/zinc/07/79/76/1118077976.db2.gz NUQIKHOWSDQYTG-HLAWJBBLSA-N 1 3 372.553 4.160 20 0 FIADHO CC(C)[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645823 1118171851 /nfs/dbraw/zinc/17/18/51/1118171851.db2.gz LITWJRXMBDJTHM-HTAPYJJXSA-N 1 3 356.510 4.220 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000540992653 1118342133 /nfs/dbraw/zinc/34/21/33/1118342133.db2.gz YKFAZUAXIMTTOE-NJNPRVFISA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992653 1118342136 /nfs/dbraw/zinc/34/21/36/1118342136.db2.gz YKFAZUAXIMTTOE-NJNPRVFISA-N 1 3 365.521 4.206 20 0 FIADHO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311491844 1119376993 /nfs/dbraw/zinc/37/69/93/1119376993.db2.gz CFPPSZIMPIFVME-NYDSKATKSA-N 1 3 350.506 4.270 20 0 FIADHO CCC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000178520323 1119395183 /nfs/dbraw/zinc/39/51/83/1119395183.db2.gz ZGYSEKUNCDSBIJ-GOSISDBHSA-N 1 3 359.341 4.271 20 0 FIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493923713 1119509962 /nfs/dbraw/zinc/50/99/62/1119509962.db2.gz DKJNDPWZBOCARB-XYQBIQKZSA-N 1 3 351.332 4.158 20 0 FIADHO CO[C@@H](c1ccccc1)[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000493945733 1119513742 /nfs/dbraw/zinc/51/37/42/1119513742.db2.gz TZXPHCBTTXTHRW-WMZHIEFXSA-N 1 3 352.522 4.059 20 0 FIADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000195133134 1120120301 /nfs/dbraw/zinc/12/03/01/1120120301.db2.gz DNRGUGFLOCQUIM-UGKGYDQZSA-N 1 3 366.505 4.021 20 0 FIADHO c1nnc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CCCCC2)[nH]1 ZINC000494878327 1120354657 /nfs/dbraw/zinc/35/46/57/1120354657.db2.gz LGVAHWSCVGLHSO-OAQYLSRUSA-N 1 3 367.541 4.202 20 0 FIADHO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000542533267 1120430540 /nfs/dbraw/zinc/43/05/40/1120430540.db2.gz KXLAJIIEBCQYKG-NVXWUHKLSA-N 1 3 370.459 4.370 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CCS2 ZINC000250103073 1120475867 /nfs/dbraw/zinc/47/58/67/1120475867.db2.gz RRSYBIGFBYGNEY-NJDAHSKKSA-N 1 3 374.594 4.198 20 0 FIADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650763 1120945487 /nfs/dbraw/zinc/94/54/87/1120945487.db2.gz RPZMGOZUPOVLEI-CABCVRRESA-N 1 3 358.498 4.153 20 0 FIADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650763 1120945490 /nfs/dbraw/zinc/94/54/90/1120945490.db2.gz RPZMGOZUPOVLEI-CABCVRRESA-N 1 3 358.498 4.153 20 0 FIADHO CC[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000236996621 1120972143 /nfs/dbraw/zinc/97/21/43/1120972143.db2.gz CTBURQVGGHMSNC-HSZRJFAPSA-N 1 3 352.522 4.443 20 0 FIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000397636146 1121256582 /nfs/dbraw/zinc/25/65/82/1121256582.db2.gz PXHHIMNYRUYTAA-OAHLLOKOSA-N 1 3 364.942 4.079 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744912 1121662720 /nfs/dbraw/zinc/66/27/20/1121662720.db2.gz DWZQZXVSCWHZBB-LSDHHAIUSA-N 1 3 371.506 4.158 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744912 1121662724 /nfs/dbraw/zinc/66/27/24/1121662724.db2.gz DWZQZXVSCWHZBB-LSDHHAIUSA-N 1 3 371.506 4.158 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000125078183 1121745341 /nfs/dbraw/zinc/74/53/41/1121745341.db2.gz UWYIXZHYWQLZKZ-HXOBKFHXSA-N 1 3 350.506 4.498 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CC45CCOCC5)[C@H]3C2)cc1 ZINC000671761458 1121790946 /nfs/dbraw/zinc/79/09/46/1121790946.db2.gz VDZKCPJRRYHFBK-BJESRGMDSA-N 1 3 368.565 4.084 20 0 FIADHO Brc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)s1 ZINC000671764914 1121815022 /nfs/dbraw/zinc/81/50/22/1121815022.db2.gz UYKYVFXNUGVICK-ZIAGYGMSSA-N 1 3 369.372 4.149 20 0 FIADHO Brc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)s1 ZINC000671764914 1121815038 /nfs/dbraw/zinc/81/50/38/1121815038.db2.gz UYKYVFXNUGVICK-ZIAGYGMSSA-N 1 3 369.372 4.149 20 0 FIADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497867174 1122453374 /nfs/dbraw/zinc/45/33/74/1122453374.db2.gz INCDKBFVPDUZLO-DYESRHJHSA-N 1 3 357.542 4.136 20 0 FIADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230722 1122757280 /nfs/dbraw/zinc/75/72/80/1122757280.db2.gz ANFIPZXFMCDWRS-DNVJHFABSA-N 1 3 370.581 4.474 20 0 FIADHO CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499138058 1123279569 /nfs/dbraw/zinc/27/95/69/1123279569.db2.gz BSNZRCCHNDHVIG-KOUNCHBCSA-N 1 3 350.506 4.371 20 0 FIADHO Cc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(C)c1F ZINC000132828774 1123365891 /nfs/dbraw/zinc/36/58/91/1123365891.db2.gz WGFXYOAVLRGDIN-SFHVURJKSA-N 1 3 370.512 4.250 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453134 1124037560 /nfs/dbraw/zinc/03/75/60/1124037560.db2.gz FGIXZWGISZVWON-HZUJVAHNSA-N 1 3 374.550 4.499 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453134 1124037566 /nfs/dbraw/zinc/03/75/66/1124037566.db2.gz FGIXZWGISZVWON-HZUJVAHNSA-N 1 3 374.550 4.499 20 0 FIADHO c1ccc(COc2cccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000245618307 1124145326 /nfs/dbraw/zinc/14/53/26/1124145326.db2.gz VZJVCWSIMCLKNG-YADHBBJMSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2cccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000245618307 1124145344 /nfs/dbraw/zinc/14/53/44/1124145344.db2.gz VZJVCWSIMCLKNG-YADHBBJMSA-N 1 3 350.506 4.025 20 0 FIADHO CC[NH+](CC)Cc1cccc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000245651650 1124167819 /nfs/dbraw/zinc/16/78/19/1124167819.db2.gz BHXQWEUJMWDECT-AUSIDOKSSA-N 1 3 366.553 4.246 20 0 FIADHO C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246993411 1124579697 /nfs/dbraw/zinc/57/96/97/1124579697.db2.gz KYLRQJPRYWOAEC-CDNPAEQRSA-N 1 3 368.521 4.198 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)c(Cl)cc1Cl ZINC000247133605 1124593241 /nfs/dbraw/zinc/59/32/41/1124593241.db2.gz AURQHWGWENRWIS-STQMWFEESA-N 1 3 363.304 4.020 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Cl)cc1Cl ZINC000247133605 1124593250 /nfs/dbraw/zinc/59/32/50/1124593250.db2.gz AURQHWGWENRWIS-STQMWFEESA-N 1 3 363.304 4.020 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCOC5(CCCC5)C4)[C@@H]3C2)cc1 ZINC000248394682 1124760692 /nfs/dbraw/zinc/76/06/92/1124760692.db2.gz FSSFORPZGSYMIX-GPJHCHHRSA-N 1 3 368.565 4.369 20 0 FIADHO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062426800 1124809787 /nfs/dbraw/zinc/80/97/87/1124809787.db2.gz BAWJQVWJYLVUMH-NRFANRHFSA-N 1 3 352.522 4.476 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000249145008 1124846414 /nfs/dbraw/zinc/84/64/14/1124846414.db2.gz WQNGHFOKUFLRJR-ZWUBBELISA-N 1 3 356.554 4.082 20 0 FIADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000249255953 1124852103 /nfs/dbraw/zinc/85/21/03/1124852103.db2.gz GNCKJSMCLYBNJU-IPMKNSEASA-N 1 3 354.460 4.262 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1C(F)(F)F ZINC000090523094 1125001678 /nfs/dbraw/zinc/00/16/78/1125001678.db2.gz FHMQJSWLOZRFBD-KYNGSXCRSA-N 1 3 370.459 4.124 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccc(OC)c2)ccc1OC ZINC000182227287 1125301020 /nfs/dbraw/zinc/30/10/20/1125301020.db2.gz JBJOUIYKUZSBBS-QGZVFWFLSA-N 1 3 356.510 4.396 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)ccc1OC ZINC000182629007 1125589123 /nfs/dbraw/zinc/58/91/23/1125589123.db2.gz PBXNCPGHCPGKAN-IERDGZPVSA-N 1 3 374.500 4.060 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCCC(C)(C)CO)cc1CN1CCCCC1 ZINC000183015970 1125720842 /nfs/dbraw/zinc/72/08/42/1125720842.db2.gz YBIGPGXFAKPYMC-SFHVURJKSA-N 1 3 362.558 4.130 20 0 FIADHO Cc1cc(Br)ccc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001648786149 1079618635 /nfs/dbraw/zinc/61/86/35/1079618635.db2.gz SHGLOKNRELKHBB-UHFFFAOYSA-N 1 3 373.338 4.296 20 0 FIADHO Cc1cc(Br)ccc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC001648786149 1079618639 /nfs/dbraw/zinc/61/86/39/1079618639.db2.gz SHGLOKNRELKHBB-UHFFFAOYSA-N 1 3 373.338 4.296 20 0 FIADHO CCC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccccn1 ZINC000179464953 1080181324 /nfs/dbraw/zinc/18/13/24/1080181324.db2.gz XIFKRVSJLINKCC-QFIPXVFZSA-N 1 3 366.553 4.115 20 0 FIADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180119292 1080450512 /nfs/dbraw/zinc/45/05/12/1080450512.db2.gz JWTKLXRRLNNOTM-AVRDEDQJSA-N 1 3 371.956 4.045 20 0 FIADHO C[C@H]1C[N@H+](CCCNCc2ccc(N(C)c3ccccc3)cc2)CCCO1 ZINC000683344007 1080684264 /nfs/dbraw/zinc/68/42/64/1080684264.db2.gz HUSHQSQKCBPJBB-FQEVSTJZSA-N 1 3 367.537 4.045 20 0 FIADHO C[C@H]1C[N@@H+](CCCNCc2ccc(N(C)c3ccccc3)cc2)CCCO1 ZINC000683344007 1080684268 /nfs/dbraw/zinc/68/42/68/1080684268.db2.gz HUSHQSQKCBPJBB-FQEVSTJZSA-N 1 3 367.537 4.045 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000398108118 1080785066 /nfs/dbraw/zinc/78/50/66/1080785066.db2.gz BZKGGEZKGJTIKC-ZQMYSKGWSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000398108118 1080785074 /nfs/dbraw/zinc/78/50/74/1080785074.db2.gz BZKGGEZKGJTIKC-ZQMYSKGWSA-N 1 3 350.506 4.270 20 0 FIADHO Cc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)s1 ZINC001648830143 1081267648 /nfs/dbraw/zinc/26/76/48/1081267648.db2.gz JJZCZLHVHGSFSA-UHFFFAOYSA-N 1 3 371.594 4.053 20 0 FIADHO C[C@H](O)[C@H]1CCCCN1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337094 1081470153 /nfs/dbraw/zinc/47/01/53/1081470153.db2.gz GZGCQRXXCLRXHP-TUACAJSNSA-N 1 3 366.549 4.138 20 0 FIADHO C[C@H](O)[C@H]1CCCCN1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337094 1081470154 /nfs/dbraw/zinc/47/01/54/1081470154.db2.gz GZGCQRXXCLRXHP-TUACAJSNSA-N 1 3 366.549 4.138 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000537956350 1081502663 /nfs/dbraw/zinc/50/26/63/1081502663.db2.gz NEIBTKNOENVGRG-JBBXEZCESA-N 1 3 357.325 4.022 20 0 FIADHO CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000537956462 1081504285 /nfs/dbraw/zinc/50/42/85/1081504285.db2.gz RQIRBZVHWMPONH-XUVXKRRUSA-N 1 3 350.934 4.149 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000656127336 1081715615 /nfs/dbraw/zinc/71/56/15/1081715615.db2.gz ZIGIYZQFVPJRMK-TVTNDZMWSA-N 1 3 361.489 4.022 20 0 FIADHO CCN(Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000580979401 1082264914 /nfs/dbraw/zinc/26/49/14/1082264914.db2.gz QNLVTURXCAIXIG-UHFFFAOYSA-N 1 3 354.523 4.222 20 0 FIADHO Clc1ccc2c(c1)CC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656683161 1082713085 /nfs/dbraw/zinc/71/30/85/1082713085.db2.gz ILHLDSWJOBRLOJ-OAQYLSRUSA-N 1 3 355.913 4.224 20 0 FIADHO C[C@@H]1C[C@H](NC[C@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755899 1082871983 /nfs/dbraw/zinc/87/19/83/1082871983.db2.gz KRLPLTAAIWRVSC-JUXOCIIHSA-N 1 3 370.562 4.179 20 0 FIADHO C[C@@H]1C[C@H](NC[C@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755899 1082871991 /nfs/dbraw/zinc/87/19/91/1082871991.db2.gz KRLPLTAAIWRVSC-JUXOCIIHSA-N 1 3 370.562 4.179 20 0 FIADHO COc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Br ZINC000131798915 1083136996 /nfs/dbraw/zinc/13/69/96/1083136996.db2.gz ZAKRPZLZBIZNFW-OHRKKDJYSA-N 1 3 367.331 4.124 20 0 FIADHO COc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000131798915 1083137005 /nfs/dbraw/zinc/13/70/05/1083137005.db2.gz ZAKRPZLZBIZNFW-OHRKKDJYSA-N 1 3 367.331 4.124 20 0 FIADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000510800371 1083317216 /nfs/dbraw/zinc/31/72/16/1083317216.db2.gz ZAYPGAARTVBCHX-KRWDZBQOSA-N 1 3 372.940 4.478 20 0 FIADHO CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658288436 1083394631 /nfs/dbraw/zinc/39/46/31/1083394631.db2.gz PHUYPAQOMKQNKC-OFAXGOBFSA-N 1 3 370.537 4.036 20 0 FIADHO Cc1ccncc1CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000581995697 1083443657 /nfs/dbraw/zinc/44/36/57/1083443657.db2.gz WFKGUMYLWPNVGQ-DEOSSOPVSA-N 1 3 363.549 4.311 20 0 FIADHO Cc1ccncc1CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000581995697 1083443666 /nfs/dbraw/zinc/44/36/66/1083443666.db2.gz WFKGUMYLWPNVGQ-DEOSSOPVSA-N 1 3 363.549 4.311 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000192818096 1083512786 /nfs/dbraw/zinc/51/27/86/1083512786.db2.gz AFPDVHQWVQENHK-QFIPXVFZSA-N 1 3 353.510 4.054 20 0 FIADHO COCc1csc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000657297396 1084302526 /nfs/dbraw/zinc/30/25/26/1084302526.db2.gz CCECYUINVZXDAQ-UHFFFAOYSA-N 1 3 358.551 4.416 20 0 FIADHO CCOc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1OCC ZINC000171126927 1084774207 /nfs/dbraw/zinc/77/42/07/1084774207.db2.gz UMPWXEQKTTVTPE-QGZVFWFLSA-N 1 3 356.510 4.396 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)C[C@H](C)O1 ZINC000432229682 1085691257 /nfs/dbraw/zinc/69/12/57/1085691257.db2.gz TXCRPMJIDSNDOH-STQMWFEESA-N 1 3 363.304 4.112 20 0 FIADHO Cc1cc(C)cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000657625981 1085715170 /nfs/dbraw/zinc/71/51/70/1085715170.db2.gz LJEYQWGHBFYNOD-UHFFFAOYSA-N 1 3 351.538 4.124 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)c1ccccc1Cl ZINC000582927144 1085929908 /nfs/dbraw/zinc/92/99/08/1085929908.db2.gz STEYOLCBUXAFST-WOUAJJJCSA-N 1 3 351.966 4.041 20 0 FIADHO COc1ccc([C@@H](NCC2=CC[N@H+](C)CC2)C(C)C)c(Br)c1 ZINC000582993972 1086006134 /nfs/dbraw/zinc/00/61/34/1086006134.db2.gz CWFSHDPEIKTHGS-SFHVURJKSA-N 1 3 367.331 4.006 20 0 FIADHO COc1ccc([C@@H](NCC2=CC[N@@H+](C)CC2)C(C)C)c(Br)c1 ZINC000582993972 1086006140 /nfs/dbraw/zinc/00/61/40/1086006140.db2.gz CWFSHDPEIKTHGS-SFHVURJKSA-N 1 3 367.331 4.006 20 0 FIADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc(F)cc(F)c1 ZINC000583135295 1086257260 /nfs/dbraw/zinc/25/72/60/1086257260.db2.gz VMRCMQRPRCZVJV-OAHLLOKOSA-N 1 3 360.448 4.289 20 0 FIADHO C[NH+]1CCC2(CC1)C[C@H](NCC(C)(C)C(F)(F)F)c1ccccc1O2 ZINC000583476393 1086331574 /nfs/dbraw/zinc/33/15/74/1086331574.db2.gz PQCKCMJZCKCFBD-HNNXBMFYSA-N 1 3 356.432 4.153 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccccc1O2 ZINC000583476393 1086331584 /nfs/dbraw/zinc/33/15/84/1086331584.db2.gz PQCKCMJZCKCFBD-HNNXBMFYSA-N 1 3 356.432 4.153 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174403 1086350676 /nfs/dbraw/zinc/35/06/76/1086350676.db2.gz AWZXJHNAOQRLAK-ZDSWQNORSA-N 1 3 352.469 4.353 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174403 1086350688 /nfs/dbraw/zinc/35/06/88/1086350688.db2.gz AWZXJHNAOQRLAK-ZDSWQNORSA-N 1 3 352.469 4.353 20 0 FIADHO COc1cccc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000662295535 1086401164 /nfs/dbraw/zinc/40/11/64/1086401164.db2.gz UUTARTJBJBKJLD-GOSISDBHSA-N 1 3 371.550 4.030 20 0 FIADHO Cc1nccc([C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000662504899 1086474385 /nfs/dbraw/zinc/47/43/85/1086474385.db2.gz HEVXDLUWURVTAP-JOCHJYFZSA-N 1 3 364.537 4.151 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441526 1086545240 /nfs/dbraw/zinc/54/52/40/1086545240.db2.gz UWIPZSCVWUMYBS-XPKDYRNWSA-N 1 3 369.372 4.448 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441526 1086545246 /nfs/dbraw/zinc/54/52/46/1086545246.db2.gz UWIPZSCVWUMYBS-XPKDYRNWSA-N 1 3 369.372 4.448 20 0 FIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469495 1086576179 /nfs/dbraw/zinc/57/61/79/1086576179.db2.gz PSTYYGZLQMYOMH-SOLBZPMBSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469495 1086576191 /nfs/dbraw/zinc/57/61/91/1086576191.db2.gz PSTYYGZLQMYOMH-SOLBZPMBSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469495 1086576207 /nfs/dbraw/zinc/57/62/07/1086576207.db2.gz PSTYYGZLQMYOMH-SOLBZPMBSA-N 1 3 357.567 4.500 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000583456813 1086700518 /nfs/dbraw/zinc/70/05/18/1086700518.db2.gz ZWMQYRXFGQDGHF-UDIRQSBCSA-N 1 3 368.565 4.224 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422558 1086747275 /nfs/dbraw/zinc/74/72/75/1086747275.db2.gz FUVMRCOJSCPNJG-CXAGYDPISA-N 1 3 357.325 4.071 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422558 1086747280 /nfs/dbraw/zinc/74/72/80/1086747280.db2.gz FUVMRCOJSCPNJG-CXAGYDPISA-N 1 3 357.325 4.071 20 0 FIADHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCCC(C)C ZINC000583779580 1086959864 /nfs/dbraw/zinc/95/98/64/1086959864.db2.gz AQIKWYMUYKUFPU-YOFSQIOKSA-N 1 3 360.542 4.177 20 0 FIADHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCCC(C)C ZINC000583779580 1086959866 /nfs/dbraw/zinc/95/98/66/1086959866.db2.gz AQIKWYMUYKUFPU-YOFSQIOKSA-N 1 3 360.542 4.177 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845360 1087291726 /nfs/dbraw/zinc/29/17/26/1087291726.db2.gz NJAPFPCXTFDFPG-IAGOWNOFSA-N 1 3 356.510 4.240 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)c(OC)cc3c2)C1 ZINC000657845360 1087291730 /nfs/dbraw/zinc/29/17/30/1087291730.db2.gz NJAPFPCXTFDFPG-IAGOWNOFSA-N 1 3 356.510 4.240 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657884430 1087528936 /nfs/dbraw/zinc/52/89/36/1087528936.db2.gz UHSJMKHDBXGXON-BQFCYCMXSA-N 1 3 361.555 4.084 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657884430 1087528941 /nfs/dbraw/zinc/52/89/41/1087528941.db2.gz UHSJMKHDBXGXON-BQFCYCMXSA-N 1 3 361.555 4.084 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657884432 1087528977 /nfs/dbraw/zinc/52/89/77/1087528977.db2.gz UHSJMKHDBXGXON-JZXOWHBKSA-N 1 3 361.555 4.084 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657884432 1087528980 /nfs/dbraw/zinc/52/89/80/1087528980.db2.gz UHSJMKHDBXGXON-JZXOWHBKSA-N 1 3 361.555 4.084 20 0 FIADHO Cc1ccc([C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CCCC2)o1 ZINC000658141961 1087734073 /nfs/dbraw/zinc/73/40/73/1087734073.db2.gz YGRHUUSMBIZBQK-GGAORHGYSA-N 1 3 368.521 4.176 20 0 FIADHO Cc1ccc([C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CCCC2)o1 ZINC000658141961 1087734078 /nfs/dbraw/zinc/73/40/78/1087734078.db2.gz YGRHUUSMBIZBQK-GGAORHGYSA-N 1 3 368.521 4.176 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(OC)c1 ZINC000658165275 1087762921 /nfs/dbraw/zinc/76/29/21/1087762921.db2.gz HRQKERGSQUENMM-QFIPXVFZSA-N 1 3 353.510 4.043 20 0 FIADHO Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168481 1087764285 /nfs/dbraw/zinc/76/42/85/1087764285.db2.gz XLAVYLWPSHMVHB-DHIUTWEWSA-N 1 3 367.512 4.359 20 0 FIADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCCO2 ZINC000658167299 1087764702 /nfs/dbraw/zinc/76/47/02/1087764702.db2.gz RLMMUJCYRJXGMJ-JOCHJYFZSA-N 1 3 365.521 4.106 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168441 1087765240 /nfs/dbraw/zinc/76/52/40/1087765240.db2.gz XFDNBRYRORZESS-MOPGFXCFSA-N 1 3 367.537 4.084 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)c(Cl)c1 ZINC000424319218 1087917883 /nfs/dbraw/zinc/91/78/83/1087917883.db2.gz SCKYLFNVZJTGTH-CYBMUJFWSA-N 1 3 350.865 4.400 20 0 FIADHO [NH3+]CCC[C@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000415072057 1089129737 /nfs/dbraw/zinc/12/97/37/1089129737.db2.gz XMMSIGHDIFNRHH-KRWDZBQOSA-N 1 3 351.263 4.158 20 0 FIADHO c1ccc(-c2ccccc2OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000415079091 1089135456 /nfs/dbraw/zinc/13/54/56/1089135456.db2.gz HFUKDONYDNWVRZ-BDTNDASRSA-N 1 3 350.506 4.243 20 0 FIADHO CC1CCN([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089313 1089148697 /nfs/dbraw/zinc/14/86/97/1089148697.db2.gz WDFDOBBLHPIABN-UAFMIMERSA-N 1 3 361.599 4.031 20 0 FIADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(N)CCCCCC1 ZINC000414860062 1089149863 /nfs/dbraw/zinc/14/98/63/1089149863.db2.gz OCLNFNLVKSGULC-AWEZNQCLSA-N 1 3 371.447 4.064 20 0 FIADHO CC(C)(C)n1cc(CN2CCC(C[NH3+])CC2)c(-c2ccccc2Cl)n1 ZINC000435389133 1089596171 /nfs/dbraw/zinc/59/61/71/1089596171.db2.gz JEMFMXZSDGQLGJ-UHFFFAOYSA-N 1 3 360.933 4.129 20 0 FIADHO c1cc(CN(Cc2ccc3ncccc3c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425095 1089642768 /nfs/dbraw/zinc/64/27/68/1089642768.db2.gz BTSHDNZLXSUHST-NRFANRHFSA-N 1 3 363.530 4.441 20 0 FIADHO C[NH+](C)CCOc1cnccc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000515249709 1089913396 /nfs/dbraw/zinc/91/33/96/1089913396.db2.gz LEPGVCSOQJHOEA-NRFANRHFSA-N 1 3 353.510 4.043 20 0 FIADHO C[N@@H+]1CC[C@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402544 1090233050 /nfs/dbraw/zinc/23/30/50/1090233050.db2.gz DDPJXODTPNFWID-AVRDEDQJSA-N 1 3 356.460 4.123 20 0 FIADHO C[N@H+]1CC[C@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402544 1090233056 /nfs/dbraw/zinc/23/30/56/1090233056.db2.gz DDPJXODTPNFWID-AVRDEDQJSA-N 1 3 356.460 4.123 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000163937202 1090280209 /nfs/dbraw/zinc/28/02/09/1090280209.db2.gz BICOZYLOIZBTHV-HFJWLAOPSA-N 1 3 370.562 4.261 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000181924365 1090317365 /nfs/dbraw/zinc/31/73/65/1090317365.db2.gz SRYPAKBBTMUHRT-QGZVFWFLSA-N 1 3 353.510 4.338 20 0 FIADHO Fc1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000363863347 1090418554 /nfs/dbraw/zinc/41/85/54/1090418554.db2.gz KQVDCPTWPUDMDJ-IFMALSPDSA-N 1 3 360.517 4.433 20 0 FIADHO C[C@H]1CN(CC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000511595884 1090612095 /nfs/dbraw/zinc/61/20/95/1090612095.db2.gz TYNIMWVAKYWLMO-PMACEKPBSA-N 1 3 366.549 4.204 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464730 1091370586 /nfs/dbraw/zinc/37/05/86/1091370586.db2.gz CYJZDMFTAFOJMX-AEFFLSMTSA-N 1 3 360.448 4.461 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464730 1091370597 /nfs/dbraw/zinc/37/05/97/1091370597.db2.gz CYJZDMFTAFOJMX-AEFFLSMTSA-N 1 3 360.448 4.461 20 0 FIADHO C/C(=C/c1ccccc1C(F)(F)F)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000500416086 1091469984 /nfs/dbraw/zinc/46/99/84/1091469984.db2.gz MWFMNIRGWZBYHN-VZVUQDNOSA-N 1 3 370.459 4.199 20 0 FIADHO C/C(=C/c1ccccc1C(F)(F)F)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000500416086 1091469986 /nfs/dbraw/zinc/46/99/86/1091469986.db2.gz MWFMNIRGWZBYHN-VZVUQDNOSA-N 1 3 370.459 4.199 20 0 FIADHO C/C(=C/c1ccccc1C(F)(F)F)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000500416085 1091470313 /nfs/dbraw/zinc/47/03/13/1091470313.db2.gz MWFMNIRGWZBYHN-NOCRFKNCSA-N 1 3 370.459 4.199 20 0 FIADHO C/C(=C/c1ccccc1C(F)(F)F)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000500416085 1091470316 /nfs/dbraw/zinc/47/03/16/1091470316.db2.gz MWFMNIRGWZBYHN-NOCRFKNCSA-N 1 3 370.459 4.199 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000467434793 1092235011 /nfs/dbraw/zinc/23/50/11/1092235011.db2.gz FOOQXPFNLGDBJC-GCJKJVERSA-N 1 3 354.542 4.257 20 0 FIADHO Cc1nn(C(C)C)cc1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000467434793 1092235023 /nfs/dbraw/zinc/23/50/23/1092235023.db2.gz FOOQXPFNLGDBJC-GCJKJVERSA-N 1 3 354.542 4.257 20 0 FIADHO CCCc1nc(C)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000428231911 1092273388 /nfs/dbraw/zinc/27/33/88/1092273388.db2.gz SLWVAOMZCMFWEE-UHFFFAOYSA-N 1 3 355.526 4.280 20 0 FIADHO CCCc1nc(C)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000428231911 1092273397 /nfs/dbraw/zinc/27/33/97/1092273397.db2.gz SLWVAOMZCMFWEE-UHFFFAOYSA-N 1 3 355.526 4.280 20 0 FIADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000442880727 1092835935 /nfs/dbraw/zinc/83/59/35/1092835935.db2.gz XYGQFESJIRFZFU-KRWDZBQOSA-N 1 3 365.521 4.263 20 0 FIADHO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443062311 1092923989 /nfs/dbraw/zinc/92/39/89/1092923989.db2.gz UKORVFGXLCQIMZ-DENIHFKCSA-N 1 3 365.521 4.044 20 0 FIADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000236930428 1092983696 /nfs/dbraw/zinc/98/36/96/1092983696.db2.gz ZJFMZHLPIMWZOH-FQEVSTJZSA-N 1 3 367.537 4.099 20 0 FIADHO C[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443212203 1092986005 /nfs/dbraw/zinc/98/60/05/1092986005.db2.gz LVBVCOCTQQFJLW-IXDOHACOSA-N 1 3 354.498 4.266 20 0 FIADHO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC000512614125 1092992962 /nfs/dbraw/zinc/99/29/62/1092992962.db2.gz UXGIGPGNHMPXGI-QHAWAJNXSA-N 1 3 369.578 4.193 20 0 FIADHO C[C@@H]1CC(NCC[C@@H](O)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015826 1093039039 /nfs/dbraw/zinc/03/90/39/1093039039.db2.gz SMWQPCYCNSNXRW-DNVFCKCGSA-N 1 3 352.522 4.141 20 0 FIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000512644197 1093058727 /nfs/dbraw/zinc/05/87/27/1093058727.db2.gz ZZEALLKTKIQGTN-BUPNWXMQSA-N 1 3 370.581 4.470 20 0 FIADHO COC1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000512648503 1093069582 /nfs/dbraw/zinc/06/95/82/1093069582.db2.gz NQPZAFHXJZZFDZ-CIAQSOCLSA-N 1 3 356.554 4.082 20 0 FIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CO)CC(c3ccccc3)C2)CC1 ZINC000433076217 1093203773 /nfs/dbraw/zinc/20/37/73/1093203773.db2.gz MVDTYVBIZJTCCR-ZOGZRVJRSA-N 1 3 370.581 4.175 20 0 FIADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000389082511 1093348112 /nfs/dbraw/zinc/34/81/12/1093348112.db2.gz DMSRXISUTXJOCV-DENIHFKCSA-N 1 3 352.522 4.215 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078918 1093780753 /nfs/dbraw/zinc/78/07/53/1093780753.db2.gz XNNNSPANOYARGD-CEMLEFRQSA-N 1 3 369.553 4.305 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC000513149501 1093909094 /nfs/dbraw/zinc/90/90/94/1093909094.db2.gz LNTJEISMRNASIP-CBQGHPETSA-N 1 3 350.506 4.323 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC000513149501 1093909095 /nfs/dbraw/zinc/90/90/95/1093909095.db2.gz LNTJEISMRNASIP-CBQGHPETSA-N 1 3 350.506 4.323 20 0 FIADHO CN1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000513703684 1094411667 /nfs/dbraw/zinc/41/16/67/1094411667.db2.gz YTAFXKCLPSWFPR-FDFHNCONSA-N 1 3 350.506 4.195 20 0 FIADHO Cc1nc2ccccn2c1C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168039380 1094460237 /nfs/dbraw/zinc/46/02/37/1094460237.db2.gz DQJYVLTWMGEYQG-ROUUACIJSA-N 1 3 362.521 4.174 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000501060565 1094472073 /nfs/dbraw/zinc/47/20/73/1094472073.db2.gz SWOGLLIRKPSECI-UIFIKXQLSA-N 1 3 363.977 4.043 20 0 FIADHO CCc1nc(C)c(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000428305427 1094846691 /nfs/dbraw/zinc/84/66/91/1094846691.db2.gz KRTPFBWPIQTSON-UHFFFAOYSA-N 1 3 353.510 4.034 20 0 FIADHO CCc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000428305427 1094846705 /nfs/dbraw/zinc/84/67/05/1094846705.db2.gz KRTPFBWPIQTSON-UHFFFAOYSA-N 1 3 353.510 4.034 20 0 FIADHO Cc1nc([C@H](C)N2CCC3(C2)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000420308266 1094872851 /nfs/dbraw/zinc/87/28/51/1094872851.db2.gz NIMGCBOLAKKFLY-HNNXBMFYSA-N 1 3 359.901 4.440 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3Oc3ccccc3)CC2)C1 ZINC000420386641 1094907183 /nfs/dbraw/zinc/90/71/83/1094907183.db2.gz JBPMWPQZQLCKKH-NFBKMPQASA-N 1 3 366.505 4.197 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000522799480 1095690542 /nfs/dbraw/zinc/69/05/42/1095690542.db2.gz DSWPFAVZROZDKE-QHAWAJNXSA-N 1 3 365.565 4.391 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000522799480 1095690546 /nfs/dbraw/zinc/69/05/46/1095690546.db2.gz DSWPFAVZROZDKE-QHAWAJNXSA-N 1 3 365.565 4.391 20 0 FIADHO NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710860 1096459632 /nfs/dbraw/zinc/45/96/32/1096459632.db2.gz GGPSXIGDVIRGDC-ZJSXRUAMSA-N 1 3 374.532 4.206 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000422722128 1096471866 /nfs/dbraw/zinc/47/18/66/1096471866.db2.gz OWQJSDHMBPOSJL-DLBZAZTESA-N 1 3 355.526 4.308 20 0 FIADHO CC(C)(C)c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784231 1096490000 /nfs/dbraw/zinc/49/00/00/1096490000.db2.gz PKCISXYXRLDGBO-NFBKMPQASA-N 1 3 350.506 4.330 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422781446 1096490123 /nfs/dbraw/zinc/49/01/23/1096490123.db2.gz KQBKOIGDLDABOZ-QKLQHJQFSA-N 1 3 356.510 4.011 20 0 FIADHO [NH3+]CC1CCC(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000422803130 1096494650 /nfs/dbraw/zinc/49/46/50/1096494650.db2.gz FNUQUYICCKVPOH-UHFFFAOYSA-N 1 3 369.456 4.436 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422803134 1096494758 /nfs/dbraw/zinc/49/47/58/1096494758.db2.gz FOXDJZFJPUQDIL-RYUDHWBXSA-N 1 3 353.388 4.159 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000422862516 1096507357 /nfs/dbraw/zinc/50/73/57/1096507357.db2.gz PXDSEGPLFJWIJF-RYUDHWBXSA-N 1 3 352.309 4.437 20 0 FIADHO CCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422892307 1096515840 /nfs/dbraw/zinc/51/58/40/1096515840.db2.gz MPZQDXJVZYRABA-HUUCEWRRSA-N 1 3 357.498 4.058 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422874668 1096518499 /nfs/dbraw/zinc/51/84/99/1096518499.db2.gz OCMXHEFAWNIHSZ-KBPBESRZSA-N 1 3 357.473 4.188 20 0 FIADHO Cc1sc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])nc1-c1ccccc1 ZINC000422927540 1096527187 /nfs/dbraw/zinc/52/71/87/1096527187.db2.gz GQWYIYNTFAWMLB-JXFKEZNVSA-N 1 3 365.546 4.209 20 0 FIADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccccc3Cl)CCOCC2)c2ccccc21 ZINC000422955109 1096537613 /nfs/dbraw/zinc/53/76/13/1096537613.db2.gz IPYGXLCKRHQLRB-WOJBJXKFSA-N 1 3 356.897 4.123 20 0 FIADHO Cc1cc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)ccc1F ZINC000423009858 1096549260 /nfs/dbraw/zinc/54/92/60/1096549260.db2.gz FEQPAABCBBNGHC-YMPZKCBVSA-N 1 3 366.480 4.431 20 0 FIADHO C[C@@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000423038641 1096557333 /nfs/dbraw/zinc/55/73/33/1096557333.db2.gz OTEVTTPRTZLNCV-UWSIMGETSA-N 1 3 362.517 4.472 20 0 FIADHO FC(F)(F)c1ccc(Cl)c(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423075932 1096576494 /nfs/dbraw/zinc/57/64/94/1096576494.db2.gz XYKZMFBANJXCCF-PBWFPOADSA-N 1 3 358.835 4.263 20 0 FIADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423119770 1096578510 /nfs/dbraw/zinc/57/85/10/1096578510.db2.gz DQXBFCXEIGBPNF-LYOVBCGYSA-N 1 3 350.304 4.023 20 0 FIADHO Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H]1CCC[NH2+]CC1 ZINC000423127444 1096580289 /nfs/dbraw/zinc/58/02/89/1096580289.db2.gz TWHTVTHMGLPUEO-DYVFJYSZSA-N 1 3 362.315 4.040 20 0 FIADHO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414727764 1096629890 /nfs/dbraw/zinc/62/98/90/1096629890.db2.gz BOBFDISXDLHNGK-ZIAGYGMSSA-N 1 3 372.340 4.032 20 0 FIADHO Brc1ccc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000423260763 1096634224 /nfs/dbraw/zinc/63/42/24/1096634224.db2.gz QPZVIRXYYNAYHD-KSSFIOAISA-N 1 3 363.299 4.111 20 0 FIADHO COc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000423290673 1096634784 /nfs/dbraw/zinc/63/47/84/1096634784.db2.gz FAIZLYFBIKPLLU-OLZOCXBDSA-N 1 3 363.299 4.328 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423296623 1096644551 /nfs/dbraw/zinc/64/45/51/1096644551.db2.gz ZOXFTCOLFKJWPL-KGLIPLIRSA-N 1 3 352.507 4.384 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423297293 1096644620 /nfs/dbraw/zinc/64/46/20/1096644620.db2.gz JQRCOFLPIRCRBF-WDEREUQCSA-N 1 3 368.344 4.126 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)N ZINC000423447470 1096679332 /nfs/dbraw/zinc/67/93/32/1096679332.db2.gz PBSCCJAANYYHGU-MXWKQRLJSA-N 1 3 368.344 4.267 20 0 FIADHO Fc1cccc2[nH]c(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc21 ZINC000436273702 1098900217 /nfs/dbraw/zinc/90/02/17/1098900217.db2.gz JVVWMVDPCKXAFZ-OAHLLOKOSA-N 1 3 357.498 4.370 20 0 FIADHO Fc1cccc2[nH]c(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000436273702 1098900221 /nfs/dbraw/zinc/90/02/21/1098900221.db2.gz JVVWMVDPCKXAFZ-OAHLLOKOSA-N 1 3 357.498 4.370 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cc3c(cccc3F)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000436298647 1098911211 /nfs/dbraw/zinc/91/12/11/1098911211.db2.gz ZLNCRFBCMIPSNA-AEFFLSMTSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298647 1098911221 /nfs/dbraw/zinc/91/12/21/1098911221.db2.gz ZLNCRFBCMIPSNA-AEFFLSMTSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@H]1C[C@@H](NCc2cc3c(cccc3F)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000436298650 1098911343 /nfs/dbraw/zinc/91/13/43/1098911343.db2.gz ZLNCRFBCMIPSNA-WMZOPIPTSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@H]1C[C@@H](NCc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298650 1098911346 /nfs/dbraw/zinc/91/13/46/1098911346.db2.gz ZLNCRFBCMIPSNA-WMZOPIPTSA-N 1 3 351.469 4.450 20 0 FIADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447236 1099072550 /nfs/dbraw/zinc/07/25/50/1099072550.db2.gz PKNCLIJZTXZWHN-ZIAGYGMSSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447236 1099072563 /nfs/dbraw/zinc/07/25/63/1099072563.db2.gz PKNCLIJZTXZWHN-ZIAGYGMSSA-N 1 3 372.340 4.127 20 0 FIADHO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000437083791 1099588900 /nfs/dbraw/zinc/58/89/00/1099588900.db2.gz JDDREDCXJUCMKR-OKYOBFRVSA-N 1 3 354.460 4.464 20 0 FIADHO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000437083790 1099589484 /nfs/dbraw/zinc/58/94/84/1099589484.db2.gz JDDREDCXJUCMKR-MKXGPGLRSA-N 1 3 354.460 4.464 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692887 1099827435 /nfs/dbraw/zinc/82/74/35/1099827435.db2.gz BPZUNCCJIVRRJS-WSTZPKSXSA-N 1 3 356.485 4.093 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(OC(F)F)c1 ZINC000162558422 1099842171 /nfs/dbraw/zinc/84/21/71/1099842171.db2.gz HXLCAIQSKWTQKH-HNNXBMFYSA-N 1 3 364.436 4.079 20 0 FIADHO C[C@H](N[C@@H](CCCO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713917 1099886305 /nfs/dbraw/zinc/88/63/05/1099886305.db2.gz GOOBVPBIKZZVJD-PMOQBDJRSA-N 1 3 352.522 4.000 20 0 FIADHO C[C@H](N[C@@H](CCCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713917 1099886321 /nfs/dbraw/zinc/88/63/21/1099886321.db2.gz GOOBVPBIKZZVJD-PMOQBDJRSA-N 1 3 352.522 4.000 20 0 FIADHO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508711774 1099903572 /nfs/dbraw/zinc/90/35/72/1099903572.db2.gz PDVKWNNWWQQBIQ-MJGOQNOKSA-N 1 3 369.578 4.065 20 0 FIADHO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508719421 1099909374 /nfs/dbraw/zinc/90/93/74/1099909374.db2.gz PMBGZVHOMMMZBP-IEBWSBKVSA-N 1 3 371.594 4.483 20 0 FIADHO CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000536675120 1100163669 /nfs/dbraw/zinc/16/36/69/1100163669.db2.gz OCDDVVSFKOVGFN-QHCPKHFHSA-N 1 3 366.553 4.008 20 0 FIADHO CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000536675120 1100163672 /nfs/dbraw/zinc/16/36/72/1100163672.db2.gz OCDDVVSFKOVGFN-QHCPKHFHSA-N 1 3 366.553 4.008 20 0 FIADHO Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000425929491 1100291489 /nfs/dbraw/zinc/29/14/89/1100291489.db2.gz MIDIHIMVEJJXTH-JOCHJYFZSA-N 1 3 369.940 4.483 20 0 FIADHO c1[nH]c(CNCC2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccccc1 ZINC000194260517 1101309631 /nfs/dbraw/zinc/30/96/31/1101309631.db2.gz NUUMGQPLJZRGBY-UHFFFAOYSA-N 1 3 360.505 4.079 20 0 FIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000536962032 1101359221 /nfs/dbraw/zinc/35/92/21/1101359221.db2.gz YEDWOPWMMICEHT-GOSISDBHSA-N 1 3 351.332 4.146 20 0 FIADHO CSc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000518623038 1101364575 /nfs/dbraw/zinc/36/45/75/1101364575.db2.gz OYQIMNCZSFVDJR-UHFFFAOYSA-N 1 3 362.564 4.233 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013843 1101393143 /nfs/dbraw/zinc/39/31/43/1101393143.db2.gz SKVHNSHPAWIEIK-BHDDXSALSA-N 1 3 360.517 4.024 20 0 FIADHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000648446708 1101706931 /nfs/dbraw/zinc/70/69/31/1101706931.db2.gz PQTKYSUARUHPTN-RTBURBONSA-N 1 3 350.934 4.099 20 0 FIADHO COc1ccccc1CC1([NH3+])CCN([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168168768 1101831320 /nfs/dbraw/zinc/83/13/20/1101831320.db2.gz VJCIWJPNOQJPER-QGZVFWFLSA-N 1 3 372.940 4.316 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996903 1101958547 /nfs/dbraw/zinc/95/85/47/1101958547.db2.gz SXEYZULUSUOOGX-LLGFUMIMSA-N 1 3 356.485 4.396 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996903 1101958552 /nfs/dbraw/zinc/95/85/52/1101958552.db2.gz SXEYZULUSUOOGX-LLGFUMIMSA-N 1 3 356.485 4.396 20 0 FIADHO C[NH2+]CCC1CCN(Cc2ccc(OC)c(SC(F)(F)F)c2)CC1 ZINC000262005517 1102014739 /nfs/dbraw/zinc/01/47/39/1102014739.db2.gz RIYJBHKYZDKHKS-UHFFFAOYSA-N 1 3 362.461 4.129 20 0 FIADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183378 1102083954 /nfs/dbraw/zinc/08/39/54/1102083954.db2.gz PYWVTJBANDYGPH-NQIIRXRSSA-N 1 3 364.961 4.094 20 0 FIADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183378 1102083968 /nfs/dbraw/zinc/08/39/68/1102083968.db2.gz PYWVTJBANDYGPH-NQIIRXRSSA-N 1 3 364.961 4.094 20 0 FIADHO CCOc1cccc([C@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000120573560 1102235599 /nfs/dbraw/zinc/23/55/99/1102235599.db2.gz IYTBKQAWUOAPFJ-ZWKOTPCHSA-N 1 3 356.510 4.438 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000120582756 1102235898 /nfs/dbraw/zinc/23/58/98/1102235898.db2.gz CCUNYXMXTUPKRI-KRWDZBQOSA-N 1 3 356.510 4.396 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@H](NC[C@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000532507026 1102434567 /nfs/dbraw/zinc/43/45/67/1102434567.db2.gz LAKPLADTRYVWQC-SJLPKXTDSA-N 1 3 355.551 4.427 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@H](NC[C@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000532507026 1102434570 /nfs/dbraw/zinc/43/45/70/1102434570.db2.gz LAKPLADTRYVWQC-SJLPKXTDSA-N 1 3 355.551 4.427 20 0 FIADHO CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973088 1102524952 /nfs/dbraw/zinc/52/49/52/1102524952.db2.gz GGUIROJFWSUPFJ-UMQXSMKFSA-N 1 3 364.574 4.128 20 0 FIADHO CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973088 1102524965 /nfs/dbraw/zinc/52/49/65/1102524965.db2.gz GGUIROJFWSUPFJ-UMQXSMKFSA-N 1 3 364.574 4.128 20 0 FIADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167978268 1102742196 /nfs/dbraw/zinc/74/21/96/1102742196.db2.gz NPNAGGCSSMSAFB-GOOCMWNKSA-N 1 3 369.372 4.048 20 0 FIADHO Brc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167978268 1102742208 /nfs/dbraw/zinc/74/22/08/1102742208.db2.gz NPNAGGCSSMSAFB-GOOCMWNKSA-N 1 3 369.372 4.048 20 0 FIADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550269989 1102895111 /nfs/dbraw/zinc/89/51/11/1102895111.db2.gz DSIXPJMPYNOAPN-AKIFATBCSA-N 1 3 370.581 4.331 20 0 FIADHO Cc1nc2c(s1)[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000359892379 1102901072 /nfs/dbraw/zinc/90/10/72/1102901072.db2.gz BGIUMOSVYZZDAZ-KSSFIOAISA-N 1 3 359.539 4.120 20 0 FIADHO CC1(C)Cc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)ccc2O1 ZINC000729678531 1103027936 /nfs/dbraw/zinc/02/79/36/1103027936.db2.gz LNBUFTYBWWODPN-UHFFFAOYSA-N 1 3 350.506 4.286 20 0 FIADHO CC1(C)Cc2cc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)ccc2O1 ZINC000729679683 1103042391 /nfs/dbraw/zinc/04/23/91/1103042391.db2.gz OGLYSBWRZSXPRJ-OAQYLSRUSA-N 1 3 364.533 4.054 20 0 FIADHO c1ccc(COCc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000459382776 1103107775 /nfs/dbraw/zinc/10/77/75/1103107775.db2.gz XAUSDOCWGWNZLG-UHFFFAOYSA-N 1 3 350.506 4.120 20 0 FIADHO c1c(C[NH2+]CCCN2CCCCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459383715 1103107910 /nfs/dbraw/zinc/10/79/10/1103107910.db2.gz VAYYZHRJPNGIBN-UHFFFAOYSA-N 1 3 367.541 4.026 20 0 FIADHO Cc1noc(C)c1C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245652436 1103310132 /nfs/dbraw/zinc/31/01/32/1103310132.db2.gz CSYDHKLPYCEYCN-KQLYMOGASA-N 1 3 353.510 4.008 20 0 FIADHO Cc1noc(C)c1C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245652436 1103310150 /nfs/dbraw/zinc/31/01/50/1103310150.db2.gz CSYDHKLPYCEYCN-KQLYMOGASA-N 1 3 353.510 4.008 20 0 FIADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(n2cc(Cl)cn2)CC1 ZINC000507719582 1103634981 /nfs/dbraw/zinc/63/49/81/1103634981.db2.gz BIBIFXYQWTYQLO-UHFFFAOYSA-N 1 3 374.960 4.332 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(n2cc(Cl)cn2)CC1 ZINC000507719582 1103635000 /nfs/dbraw/zinc/63/50/00/1103635000.db2.gz BIBIFXYQWTYQLO-UHFFFAOYSA-N 1 3 374.960 4.332 20 0 FIADHO CCCCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000551790578 1103662794 /nfs/dbraw/zinc/66/27/94/1103662794.db2.gz CQJVYHWXZICHQU-TZYHBYERSA-N 1 3 374.569 4.284 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000519841010 1103894892 /nfs/dbraw/zinc/89/48/92/1103894892.db2.gz BTLBJEPPXGEWLW-FQEVSTJZSA-N 1 3 356.485 4.453 20 0 FIADHO C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001167994646 1104497043 /nfs/dbraw/zinc/49/70/43/1104497043.db2.gz IQIPLOBACVEFTO-AYDDWDILSA-N 1 3 368.565 4.397 20 0 FIADHO C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001167994646 1104497048 /nfs/dbraw/zinc/49/70/48/1104497048.db2.gz IQIPLOBACVEFTO-AYDDWDILSA-N 1 3 368.565 4.397 20 0 FIADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507772680 1104959709 /nfs/dbraw/zinc/95/97/09/1104959709.db2.gz HPUMJZGQGSOTLP-GOSISDBHSA-N 1 3 370.512 4.017 20 0 FIADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1sc2ccccc2c1Cl ZINC000536471217 1105154286 /nfs/dbraw/zinc/15/42/86/1105154286.db2.gz RJAWRUDDFLELIP-UHFFFAOYSA-N 1 3 365.974 4.013 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152426559 1105173793 /nfs/dbraw/zinc/17/37/93/1105173793.db2.gz CRSFCTZBWZCCCZ-KSSFIOAISA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152426559 1105173798 /nfs/dbraw/zinc/17/37/98/1105173798.db2.gz CRSFCTZBWZCCCZ-KSSFIOAISA-N 1 3 371.525 4.401 20 0 FIADHO Cc1cccc2ncc(C[NH2+]C3C[C@@H](C)N(Cc4ccccc4)[C@H](C)C3)n21 ZINC001168008293 1105178952 /nfs/dbraw/zinc/17/89/52/1105178952.db2.gz XCCSUWASVXAKNT-RTBURBONSA-N 1 3 362.521 4.174 20 0 FIADHO C[C@@H](CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253059 1105344415 /nfs/dbraw/zinc/34/44/15/1105344415.db2.gz FEUVFVWVWFHAKY-NORZTCDRSA-N 1 3 350.375 4.121 20 0 FIADHO COc1cc(CN2CCC(CF)CC2)cc(C[NH+]2CCC(CF)CC2)c1 ZINC000451399640 1107074100 /nfs/dbraw/zinc/07/41/00/1107074100.db2.gz ZPPIYDLXIOPNKZ-UHFFFAOYSA-N 1 3 366.496 4.058 20 0 FIADHO CN(Cc1ccccc1-c1ccnn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508504552 1108066227 /nfs/dbraw/zinc/06/62/27/1108066227.db2.gz NASUXRGCXLCIAG-OAQYLSRUSA-N 1 3 374.532 4.041 20 0 FIADHO CN(Cc1ccccc1-c1ccnn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508504552 1108066242 /nfs/dbraw/zinc/06/62/42/1108066242.db2.gz NASUXRGCXLCIAG-OAQYLSRUSA-N 1 3 374.532 4.041 20 0 FIADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@H](C)C1 ZINC000531683159 1108069251 /nfs/dbraw/zinc/06/92/51/1108069251.db2.gz XHNADAZFYWOTJY-UYAOXDASSA-N 1 3 353.510 4.311 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000531944984 1108388894 /nfs/dbraw/zinc/38/88/94/1108388894.db2.gz PDXVSOGYFUOHMB-QGZVFWFLSA-N 1 3 368.525 4.129 20 0 FIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000531990046 1108518539 /nfs/dbraw/zinc/51/85/39/1108518539.db2.gz NERUZNKGLFMYDT-GOSISDBHSA-N 1 3 356.432 4.283 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CSCCc4ccccc43)C2)cc1 ZINC000532216042 1108716064 /nfs/dbraw/zinc/71/60/64/1108716064.db2.gz QDDDFBWHAXXTER-NFBKMPQASA-N 1 3 366.574 4.171 20 0 FIADHO CCC1(CN[C@H](C)c2nccnc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000446924581 1109391010 /nfs/dbraw/zinc/39/10/10/1109391010.db2.gz HSHWKAQMBUYYFO-LJQANCHMSA-N 1 3 352.526 4.128 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097866 1109723627 /nfs/dbraw/zinc/72/36/27/1109723627.db2.gz RCPLERQPWSQHOT-QUCCMNQESA-N 1 3 362.521 4.306 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@H]1C ZINC000448097866 1109723630 /nfs/dbraw/zinc/72/36/30/1109723630.db2.gz RCPLERQPWSQHOT-QUCCMNQESA-N 1 3 362.521 4.306 20 0 FIADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)OC)c1 ZINC000527732916 1109813871 /nfs/dbraw/zinc/81/38/71/1109813871.db2.gz BOGCHZXLPSRYPP-ZEYPLWLESA-N 1 3 368.521 4.025 20 0 FIADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)OC)c1 ZINC000527732916 1109813876 /nfs/dbraw/zinc/81/38/76/1109813876.db2.gz BOGCHZXLPSRYPP-ZEYPLWLESA-N 1 3 368.521 4.025 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCc2cccc(-n3ccnc3)c2)CC1 ZINC000449059562 1109964969 /nfs/dbraw/zinc/96/49/69/1109964969.db2.gz QFVHDKMAOZGRBE-FQEVSTJZSA-N 1 3 374.532 4.058 20 0 FIADHO COc1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)cc1 ZINC000449560013 1110110413 /nfs/dbraw/zinc/11/04/13/1110110413.db2.gz FBGAGZXXVCVCAL-YQQQUEKLSA-N 1 3 352.478 4.202 20 0 FIADHO CC(=O)c1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000450345800 1110285767 /nfs/dbraw/zinc/28/57/67/1110285767.db2.gz LWBVXYJCKBNXOE-UHFFFAOYSA-N 1 3 350.506 4.233 20 0 FIADHO CC(=O)c1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000450345800 1110285769 /nfs/dbraw/zinc/28/57/69/1110285769.db2.gz LWBVXYJCKBNXOE-UHFFFAOYSA-N 1 3 350.506 4.233 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2ncc(C)c(OC)c2C)CC1)CC1CC1 ZINC000538948638 1111356035 /nfs/dbraw/zinc/35/60/35/1111356035.db2.gz IVQLVHXBCUUVME-UHFFFAOYSA-N 1 3 359.558 4.041 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2ncc(C)c(OC)c2C)CC1)CC1CC1 ZINC000538948638 1111356038 /nfs/dbraw/zinc/35/60/38/1111356038.db2.gz IVQLVHXBCUUVME-UHFFFAOYSA-N 1 3 359.558 4.041 20 0 FIADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCCc3ccc(Cl)cc32)ccn1 ZINC000539047291 1111411558 /nfs/dbraw/zinc/41/15/58/1111411558.db2.gz MZZJQYOSLHKFCQ-FQEVSTJZSA-N 1 3 373.928 4.233 20 0 FIADHO CC[NH+]1CCC(NCc2ccccc2-c2ccc(Cn3cccn3)cc2)CC1 ZINC000462026129 1111461890 /nfs/dbraw/zinc/46/18/90/1111461890.db2.gz HMTRDFYDIJEIJW-UHFFFAOYSA-N 1 3 374.532 4.172 20 0 FIADHO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000552056186 1111559823 /nfs/dbraw/zinc/55/98/23/1111559823.db2.gz VWGDNNFWMGWYJE-GMKZXUHWSA-N 1 3 363.549 4.213 20 0 FIADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000552087531 1111569611 /nfs/dbraw/zinc/56/96/11/1111569611.db2.gz KNJGIVWMHCWKAF-GMKZXUHWSA-N 1 3 363.549 4.213 20 0 FIADHO CCCN(C)[C@@H](CNC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000552325373 1111670151 /nfs/dbraw/zinc/67/01/51/1111670151.db2.gz UDAWHMOMADYRRQ-FQEVSTJZSA-N 1 3 351.966 4.185 20 0 FIADHO Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000097287795 1111935767 /nfs/dbraw/zinc/93/57/67/1111935767.db2.gz HWRCDAXXTNGMMA-GOSISDBHSA-N 1 3 370.924 4.493 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463029 1112033487 /nfs/dbraw/zinc/03/34/87/1112033487.db2.gz HUWVMKYEFSKFQQ-CTNGQTDRSA-N 1 3 366.505 4.021 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463029 1112033491 /nfs/dbraw/zinc/03/34/91/1112033491.db2.gz HUWVMKYEFSKFQQ-CTNGQTDRSA-N 1 3 366.505 4.021 20 0 FIADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000479465791 1112034349 /nfs/dbraw/zinc/03/43/49/1112034349.db2.gz PXPNPRJMPSYHFX-WIYYLYMNSA-N 1 3 354.469 4.151 20 0 FIADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000554727669 1112457069 /nfs/dbraw/zinc/45/70/69/1112457069.db2.gz RGUGYQSFHJXLJN-UHFFFAOYSA-N 1 3 353.510 4.232 20 0 FIADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000554727669 1112457072 /nfs/dbraw/zinc/45/70/72/1112457072.db2.gz RGUGYQSFHJXLJN-UHFFFAOYSA-N 1 3 353.510 4.232 20 0 FIADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000480610232 1112500573 /nfs/dbraw/zinc/50/05/73/1112500573.db2.gz NBFNZZLQBIIIBR-KDOFPFPSSA-N 1 3 358.357 4.060 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000480630549 1112510048 /nfs/dbraw/zinc/51/00/48/1112510048.db2.gz JZGFTFADSQPVNL-HOTGVXAUSA-N 1 3 352.494 4.006 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000480630549 1112510049 /nfs/dbraw/zinc/51/00/49/1112510049.db2.gz JZGFTFADSQPVNL-HOTGVXAUSA-N 1 3 352.494 4.006 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(C)sc3C)cc2)CC1 ZINC000480735476 1112570027 /nfs/dbraw/zinc/57/00/27/1112570027.db2.gz GEDABCMMYOQMJS-SFHVURJKSA-N 1 3 371.594 4.353 20 0 FIADHO COc1cccc2c1CC[C@@H]2NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000481303882 1112878336 /nfs/dbraw/zinc/87/83/36/1112878336.db2.gz HMWDLGVRMKURLA-QFIPXVFZSA-N 1 3 350.506 4.245 20 0 FIADHO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000481325652 1112900933 /nfs/dbraw/zinc/90/09/33/1112900933.db2.gz WEZFBHNSCIUCSX-GOSISDBHSA-N 1 3 367.306 4.040 20 0 FIADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943034 1113136167 /nfs/dbraw/zinc/13/61/67/1113136167.db2.gz DYASQBIGVUHUCK-CEMLEFRQSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943034 1113136170 /nfs/dbraw/zinc/13/61/70/1113136170.db2.gz DYASQBIGVUHUCK-CEMLEFRQSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943034 1113136172 /nfs/dbraw/zinc/13/61/72/1113136172.db2.gz DYASQBIGVUHUCK-CEMLEFRQSA-N 1 3 369.553 4.163 20 0 FIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127664 1113184074 /nfs/dbraw/zinc/18/40/74/1113184074.db2.gz ORJIPHNLNIBYTG-VGSWGCGISA-N 1 3 350.506 4.108 20 0 FIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127664 1113184077 /nfs/dbraw/zinc/18/40/77/1113184077.db2.gz ORJIPHNLNIBYTG-VGSWGCGISA-N 1 3 350.506 4.108 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434947 1113253722 /nfs/dbraw/zinc/25/37/22/1113253722.db2.gz HGGDXCWGMARFSB-REWPJTCUSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434947 1113253726 /nfs/dbraw/zinc/25/37/26/1113253726.db2.gz HGGDXCWGMARFSB-REWPJTCUSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434947 1113253731 /nfs/dbraw/zinc/25/37/31/1113253731.db2.gz HGGDXCWGMARFSB-REWPJTCUSA-N 1 3 352.522 4.301 20 0 FIADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482445207 1113258812 /nfs/dbraw/zinc/25/88/12/1113258812.db2.gz AQDWNMJARJFAAJ-TZIWHRDSSA-N 1 3 352.522 4.301 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000483183257 1113458909 /nfs/dbraw/zinc/45/89/09/1113458909.db2.gz JFHQAMIMBAFLJD-VQIMIIECSA-N 1 3 362.562 4.234 20 0 FIADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000668713684 1113680935 /nfs/dbraw/zinc/68/09/35/1113680935.db2.gz XXAVZDQBDQEDGB-HSZRJFAPSA-N 1 3 363.549 4.215 20 0 FIADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000489887922 1114182679 /nfs/dbraw/zinc/18/26/79/1114182679.db2.gz WIIIOVVRYXNGDL-SFHVURJKSA-N 1 3 367.493 4.011 20 0 FIADHO C[C@@H]1CN(Cc2ccc(C3CCCCC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490961373 1114355916 /nfs/dbraw/zinc/35/59/16/1114355916.db2.gz BRHDVZLQKYXIAV-HYBUGGRVSA-N 1 3 369.597 4.192 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCOc2ccccc2F)CC1 ZINC000589998756 1114872378 /nfs/dbraw/zinc/87/23/78/1114872378.db2.gz IOPUPAGZSAXPOI-UHFFFAOYSA-N 1 3 356.485 4.049 20 0 FIADHO C[N@H+](Cc1ccccc1)CC1CCN(CCOc2ccccc2F)CC1 ZINC000589998756 1114872381 /nfs/dbraw/zinc/87/23/81/1114872381.db2.gz IOPUPAGZSAXPOI-UHFFFAOYSA-N 1 3 356.485 4.049 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C[C@@H](C)O1 ZINC000575110136 1115546191 /nfs/dbraw/zinc/54/61/91/1115546191.db2.gz RETBSCKXQAFOQG-CBGDNZLLSA-N 1 3 364.961 4.140 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000669614553 1115667925 /nfs/dbraw/zinc/66/79/25/1115667925.db2.gz YLSRVWJVXMPCTO-REWPJTCUSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000669614553 1115667928 /nfs/dbraw/zinc/66/79/28/1115667928.db2.gz YLSRVWJVXMPCTO-REWPJTCUSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000669614553 1115667929 /nfs/dbraw/zinc/66/79/29/1115667929.db2.gz YLSRVWJVXMPCTO-REWPJTCUSA-N 1 3 364.533 4.227 20 0 FIADHO C[N@H+]1CC=C(CNCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000539544897 1116341784 /nfs/dbraw/zinc/34/17/84/1116341784.db2.gz LCEBJNYLDAREGM-UHFFFAOYSA-N 1 3 372.944 4.175 20 0 FIADHO C[N@@H+]1CC=C(CNCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000539544897 1116341786 /nfs/dbraw/zinc/34/17/86/1116341786.db2.gz LCEBJNYLDAREGM-UHFFFAOYSA-N 1 3 372.944 4.175 20 0 FIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000462794752 1117777189 /nfs/dbraw/zinc/77/71/89/1117777189.db2.gz WSUXSNOIUHGVFF-UHFFFAOYSA-N 1 3 368.521 4.383 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000462794752 1117777194 /nfs/dbraw/zinc/77/71/94/1117777194.db2.gz WSUXSNOIUHGVFF-UHFFFAOYSA-N 1 3 368.521 4.383 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2c(O)cccc21 ZINC000462810204 1117780206 /nfs/dbraw/zinc/78/02/06/1117780206.db2.gz ZNMIXYFXVAPOTJ-WTNAPCKOSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2c(O)cccc21 ZINC000462810204 1117780211 /nfs/dbraw/zinc/78/02/11/1117780211.db2.gz ZNMIXYFXVAPOTJ-WTNAPCKOSA-N 1 3 350.506 4.270 20 0 FIADHO Oc1ccc2c(c1)[C@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CCC2 ZINC000462809515 1117780569 /nfs/dbraw/zinc/78/05/69/1117780569.db2.gz BMQVQCLULBSVGP-HSZRJFAPSA-N 1 3 366.505 4.034 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000462848254 1117818295 /nfs/dbraw/zinc/81/82/95/1117818295.db2.gz OMYZPCTXEUQOQE-GUDVDZBRSA-N 1 3 362.558 4.404 20 0 FIADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095692 1117964003 /nfs/dbraw/zinc/96/40/03/1117964003.db2.gz FRYSAOOWNQBWKB-FQEVSTJZSA-N 1 3 356.558 4.179 20 0 FIADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463095692 1117964006 /nfs/dbraw/zinc/96/40/06/1117964006.db2.gz FRYSAOOWNQBWKB-FQEVSTJZSA-N 1 3 356.558 4.179 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137188 1117985819 /nfs/dbraw/zinc/98/58/19/1117985819.db2.gz JHCMIMMOQCVWNX-AUSIDOKSSA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463137188 1117985822 /nfs/dbraw/zinc/98/58/22/1117985822.db2.gz JHCMIMMOQCVWNX-AUSIDOKSSA-N 1 3 352.522 4.366 20 0 FIADHO Cc1nn(C(C)C)cc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000464070165 1118429996 /nfs/dbraw/zinc/42/99/96/1118429996.db2.gz VEPOOGZYNURJNL-UHFFFAOYSA-N 1 3 374.960 4.428 20 0 FIADHO CN1CCN(CCCC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000541849109 1118669796 /nfs/dbraw/zinc/66/97/96/1118669796.db2.gz QPTQKLNCWGCLPY-OAQYLSRUSA-N 1 3 357.542 4.137 20 0 FIADHO C[C@@H]([NH2+]CCOc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492379029 1119079388 /nfs/dbraw/zinc/07/93/88/1119079388.db2.gz WBRUPHQOPRUOFF-MJGOQNOKSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@@H](NCCOc1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492379029 1119079393 /nfs/dbraw/zinc/07/93/93/1119079393.db2.gz WBRUPHQOPRUOFF-MJGOQNOKSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@@H](NCCOc1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492379029 1119079400 /nfs/dbraw/zinc/07/94/00/1119079400.db2.gz WBRUPHQOPRUOFF-MJGOQNOKSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178281206 1119382113 /nfs/dbraw/zinc/38/21/13/1119382113.db2.gz OGIYYMSMRBPDJO-OAHLLOKOSA-N 1 3 364.436 4.079 20 0 FIADHO Fc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000311991671 1119397423 /nfs/dbraw/zinc/39/74/23/1119397423.db2.gz ONTYLSHAPOCPJO-MRXNPFEDSA-N 1 3 366.402 4.456 20 0 FIADHO CCN(CC)[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000312097300 1119399888 /nfs/dbraw/zinc/39/98/88/1119399888.db2.gz CLCASANTGZJMEO-XMMPIXPASA-N 1 3 365.565 4.324 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c2ccccc2)cc1 ZINC000494074552 1119537171 /nfs/dbraw/zinc/53/71/71/1119537171.db2.gz GNYYLKNNQKVUFR-RBZQAINGSA-N 1 3 364.533 4.052 20 0 FIADHO Cn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(C2CCCCC2)n1 ZINC000192927356 1120090070 /nfs/dbraw/zinc/09/00/70/1120090070.db2.gz IWRCCWFGKDZMPX-FQEVSTJZSA-N 1 3 366.553 4.080 20 0 FIADHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192929396 1120090413 /nfs/dbraw/zinc/09/04/13/1120090413.db2.gz QMIPIENNOAASIZ-QFIPXVFZSA-N 1 3 374.532 4.101 20 0 FIADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495431939 1120817064 /nfs/dbraw/zinc/81/70/64/1120817064.db2.gz GALCVQMOGDVRFX-MIZPHKNDSA-N 1 3 374.532 4.434 20 0 FIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC[C@H]3CCCN3C)s2)cc1 ZINC000542572384 1120965817 /nfs/dbraw/zinc/96/58/17/1120965817.db2.gz FBUZOMGFDGSVND-RHSMWYFYSA-N 1 3 359.539 4.262 20 0 FIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000315702659 1120993514 /nfs/dbraw/zinc/99/35/14/1120993514.db2.gz VUNQWAJKUGBOMY-AWEZNQCLSA-N 1 3 369.347 4.373 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000123729449 1121627261 /nfs/dbraw/zinc/62/72/61/1121627261.db2.gz DNELAHSAMYKAMU-IBGZPJMESA-N 1 3 364.411 4.424 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000123913165 1121644591 /nfs/dbraw/zinc/64/45/91/1121644591.db2.gz LQMVQLKVMOVEMD-MRXNPFEDSA-N 1 3 365.521 4.219 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000123913165 1121644606 /nfs/dbraw/zinc/64/46/06/1121644606.db2.gz LQMVQLKVMOVEMD-MRXNPFEDSA-N 1 3 365.521 4.219 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744909 1121663307 /nfs/dbraw/zinc/66/33/07/1121663307.db2.gz DWZQZXVSCWHZBB-CABCVRRESA-N 1 3 371.506 4.158 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744909 1121663312 /nfs/dbraw/zinc/66/33/12/1121663312.db2.gz DWZQZXVSCWHZBB-CABCVRRESA-N 1 3 371.506 4.158 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744910 1121663376 /nfs/dbraw/zinc/66/33/76/1121663376.db2.gz DWZQZXVSCWHZBB-GJZGRUSLSA-N 1 3 371.506 4.158 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744910 1121663380 /nfs/dbraw/zinc/66/33/80/1121663380.db2.gz DWZQZXVSCWHZBB-GJZGRUSLSA-N 1 3 371.506 4.158 20 0 FIADHO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCN(CC)C[C@H]3C)ccn2)cc1 ZINC000124956622 1121734038 /nfs/dbraw/zinc/73/40/38/1121734038.db2.gz WTXSMVXPNVYEBO-DYESRHJHSA-N 1 3 369.509 4.093 20 0 FIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671759911 1121785482 /nfs/dbraw/zinc/78/54/82/1121785482.db2.gz UWRGRCYEJTXCID-TXPKVOOTSA-N 1 3 365.477 4.095 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000125872522 1121856947 /nfs/dbraw/zinc/85/69/47/1121856947.db2.gz CBIMCBMPNFGQTO-LJQANCHMSA-N 1 3 363.977 4.014 20 0 FIADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126801988 1121997545 /nfs/dbraw/zinc/99/75/45/1121997545.db2.gz MIDPGQJYHZUYSP-CVEARBPZSA-N 1 3 362.514 4.459 20 0 FIADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126801988 1121997546 /nfs/dbraw/zinc/99/75/46/1121997546.db2.gz MIDPGQJYHZUYSP-CVEARBPZSA-N 1 3 362.514 4.459 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917008331 1122000809 /nfs/dbraw/zinc/00/08/09/1122000809.db2.gz JQNNPQFWRIUWJD-IIBYNOLFSA-N 1 3 374.475 4.162 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917008331 1122000813 /nfs/dbraw/zinc/00/08/13/1122000813.db2.gz JQNNPQFWRIUWJD-IIBYNOLFSA-N 1 3 374.475 4.162 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@@H+](Cc3ccccc3)C[C@H](C)CN)CCO2)cc1 ZINC001168615492 1122070058 /nfs/dbraw/zinc/07/00/58/1122070058.db2.gz OFDINLDFYPIIFB-JZWVFAODSA-N 1 3 368.521 4.012 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@H+](Cc3ccccc3)C[C@H](C)CN)CCO2)cc1 ZINC001168615492 1122070065 /nfs/dbraw/zinc/07/00/65/1122070065.db2.gz OFDINLDFYPIIFB-JZWVFAODSA-N 1 3 368.521 4.012 20 0 FIADHO Cc1ccccc1CN1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091287538 1122139939 /nfs/dbraw/zinc/13/99/39/1122139939.db2.gz SBEQFKZKWVJXSA-GOSISDBHSA-N 1 3 362.521 4.197 20 0 FIADHO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c2ccccc21 ZINC000556077402 1122639808 /nfs/dbraw/zinc/63/98/08/1122639808.db2.gz XOSIZRYEMAOYPE-QGZVFWFLSA-N 1 3 356.485 4.275 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129892 1122676614 /nfs/dbraw/zinc/67/66/14/1122676614.db2.gz IKGNYQOGTMUNPF-MZTRBVECSA-N 1 3 356.485 4.327 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129892 1122676618 /nfs/dbraw/zinc/67/66/18/1122676618.db2.gz IKGNYQOGTMUNPF-MZTRBVECSA-N 1 3 356.485 4.327 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234333 1122751249 /nfs/dbraw/zinc/75/12/49/1122751249.db2.gz WRGZNKUTMNQGIG-VXKWHMMOSA-N 1 3 368.565 4.228 20 0 FIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H]2CCC[C@H]21 ZINC000556870152 1123151982 /nfs/dbraw/zinc/15/19/82/1123151982.db2.gz DAOWEFUOAKGFJA-ZSYWTGECSA-N 1 3 350.453 4.128 20 0 FIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H]2CCC[C@H]21 ZINC000556870152 1123151984 /nfs/dbraw/zinc/15/19/84/1123151984.db2.gz DAOWEFUOAKGFJA-ZSYWTGECSA-N 1 3 350.453 4.128 20 0 FIADHO Cc1cccc2ncc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n21 ZINC000556883622 1123158108 /nfs/dbraw/zinc/15/81/08/1123158108.db2.gz RNMFHEVHGDCDGL-UHFFFAOYSA-N 1 3 374.532 4.131 20 0 FIADHO CCc1nc2c(s1)[C@H](NC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000132339489 1123244863 /nfs/dbraw/zinc/24/48/63/1123244863.db2.gz GNWBFUUVTOANQK-GOSISDBHSA-N 1 3 355.551 4.337 20 0 FIADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133154949 1123436665 /nfs/dbraw/zinc/43/66/65/1123436665.db2.gz OXSAUGUVPZFKHB-UXHICEINSA-N 1 3 374.569 4.263 20 0 FIADHO CCn1cc([C@H](C)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000133397157 1123483293 /nfs/dbraw/zinc/48/32/93/1123483293.db2.gz VYHWLPBCVVOETB-SFHVURJKSA-N 1 3 362.521 4.482 20 0 FIADHO CN(C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754494 1124241737 /nfs/dbraw/zinc/24/17/37/1124241737.db2.gz UPDBWZHKOGZTQE-PLACYPQZSA-N 1 3 369.578 4.136 20 0 FIADHO CN(C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754494 1124241743 /nfs/dbraw/zinc/24/17/43/1124241743.db2.gz UPDBWZHKOGZTQE-PLACYPQZSA-N 1 3 369.578 4.136 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(F)c1F ZINC000245852343 1124263776 /nfs/dbraw/zinc/26/37/76/1124263776.db2.gz GOUXMEQDWBYYNZ-BRWVUGGUSA-N 1 3 374.475 4.425 20 0 FIADHO CN1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000108428242 1124317253 /nfs/dbraw/zinc/31/72/53/1124317253.db2.gz JYJRFIURESUACV-KRWDZBQOSA-N 1 3 371.912 4.024 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847241 1124447222 /nfs/dbraw/zinc/44/72/22/1124447222.db2.gz OTESYAQCXDTKQM-IEGUWTFLSA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000542847241 1124447224 /nfs/dbraw/zinc/44/72/24/1124447224.db2.gz OTESYAQCXDTKQM-IEGUWTFLSA-N 1 3 365.521 4.206 20 0 FIADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCc2c1cccc2Cl ZINC000542848568 1124449240 /nfs/dbraw/zinc/44/92/40/1124449240.db2.gz RWLYHQQSGKKLPQ-AVRDEDQJSA-N 1 3 370.924 4.074 20 0 FIADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCc2c1cccc2Cl ZINC000542848568 1124449241 /nfs/dbraw/zinc/44/92/41/1124449241.db2.gz RWLYHQQSGKKLPQ-AVRDEDQJSA-N 1 3 370.924 4.074 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000248437065 1124767961 /nfs/dbraw/zinc/76/79/61/1124767961.db2.gz GTAHHHLIVBMCPU-KKSFZXQISA-N 1 3 358.913 4.148 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000248437065 1124767964 /nfs/dbraw/zinc/76/79/64/1124767964.db2.gz GTAHHHLIVBMCPU-KKSFZXQISA-N 1 3 358.913 4.148 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000248961374 1124830851 /nfs/dbraw/zinc/83/08/51/1124830851.db2.gz BEBPRBNURUORCJ-YESZJQIVSA-N 1 3 368.352 4.179 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000248961374 1124830856 /nfs/dbraw/zinc/83/08/56/1124830856.db2.gz BEBPRBNURUORCJ-YESZJQIVSA-N 1 3 368.352 4.179 20 0 FIADHO CCSc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000249058453 1124839726 /nfs/dbraw/zinc/83/97/26/1124839726.db2.gz ZJAUCQILUYIMDN-MZADTFQBSA-N 1 3 367.562 4.479 20 0 FIADHO CCC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000249120537 1124845473 /nfs/dbraw/zinc/84/54/73/1124845473.db2.gz TWULWQJTIDCKCS-SFTDATJTSA-N 1 3 358.551 4.336 20 0 FIADHO CCC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000249120537 1124845482 /nfs/dbraw/zinc/84/54/82/1124845482.db2.gz TWULWQJTIDCKCS-SFTDATJTSA-N 1 3 358.551 4.336 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249205523 1124850360 /nfs/dbraw/zinc/85/03/60/1124850360.db2.gz VRWZETWYIYLZKB-FCHUYYIVSA-N 1 3 356.485 4.023 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249205523 1124850365 /nfs/dbraw/zinc/85/03/65/1124850365.db2.gz VRWZETWYIYLZKB-FCHUYYIVSA-N 1 3 356.485 4.023 20 0 FIADHO CC(C)COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090523883 1125001652 /nfs/dbraw/zinc/00/16/52/1125001652.db2.gz DAWHEUAAUNYBGT-TZYHBYERSA-N 1 3 374.569 4.140 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc3c(c2)OCO3)ccc1OC ZINC000182192307 1125284523 /nfs/dbraw/zinc/28/45/23/1125284523.db2.gz NKPKJHXETLVMEO-MRXNPFEDSA-N 1 3 370.493 4.117 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000182376676 1125440368 /nfs/dbraw/zinc/44/03/68/1125440368.db2.gz QSEHEKCIXZMVOZ-UGSOOPFHSA-N 1 3 352.494 4.453 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376676 1125440375 /nfs/dbraw/zinc/44/03/75/1125440375.db2.gz QSEHEKCIXZMVOZ-UGSOOPFHSA-N 1 3 352.494 4.453 20 0 FIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120073 568224829 /nfs/dbraw/zinc/22/48/29/568224829.db2.gz QNZOPSGHSADHDO-IRLDBZIGSA-N 1 3 355.570 4.038 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000604418448 568276311 /nfs/dbraw/zinc/27/63/11/568276311.db2.gz ZNNKSJYPMXSBQL-RDTXWAMCSA-N 1 3 359.341 4.220 20 0 FIADHO Cc1cc2[nH]ccc2c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)[nH+]1 ZINC001164995526 722201910 /nfs/dbraw/zinc/20/19/10/722201910.db2.gz NYCROGQOYDDIRW-QFIPXVFZSA-N 1 3 364.468 4.255 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1C(F)(F)F ZINC000067249712 1080081438 /nfs/dbraw/zinc/08/14/38/1080081438.db2.gz YGMDBLUWNQFDAS-HNNXBMFYSA-N 1 3 366.427 4.497 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704748 1081126303 /nfs/dbraw/zinc/12/63/03/1081126303.db2.gz JZYYWDVDTBKYGL-QUCCMNQESA-N 1 3 366.505 4.383 20 0 FIADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1cccc(CO)c1 ZINC000121235735 1081240942 /nfs/dbraw/zinc/24/09/42/1081240942.db2.gz AEDTZSVKENXPTR-IBGZPJMESA-N 1 3 352.522 4.262 20 0 FIADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)c2ccccc21 ZINC000580218710 1081757319 /nfs/dbraw/zinc/75/73/19/1081757319.db2.gz UOSXUTKFOHCQBA-FGZHOGPDSA-N 1 3 370.537 4.165 20 0 FIADHO Cc1cccc2c1OC[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000581101571 1082315180 /nfs/dbraw/zinc/31/51/80/1082315180.db2.gz MIZVAHPDPPJFQF-BXXSPATCSA-N 1 3 362.517 4.084 20 0 FIADHO Cc1cccc2c1OC[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101571 1082315187 /nfs/dbraw/zinc/31/51/87/1082315187.db2.gz MIZVAHPDPPJFQF-BXXSPATCSA-N 1 3 362.517 4.084 20 0 FIADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1scnc1C1CC1 ZINC000581429535 1082572479 /nfs/dbraw/zinc/57/24/79/1082572479.db2.gz PQYOHUZEVONNKQ-MOPGFXCFSA-N 1 3 355.551 4.193 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccccc3OC(F)F)CC2)C1 ZINC000471781752 1082983400 /nfs/dbraw/zinc/98/34/00/1082983400.db2.gz RJKYSDFLFMYQJB-VQIMIIECSA-N 1 3 366.496 4.463 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Br ZINC000430762031 1083155191 /nfs/dbraw/zinc/15/51/91/1083155191.db2.gz NNLDWTHMSOMSNN-VGWMRTNUSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Br ZINC000430762031 1083155195 /nfs/dbraw/zinc/15/51/95/1083155195.db2.gz NNLDWTHMSOMSNN-VGWMRTNUSA-N 1 3 367.306 4.051 20 0 FIADHO Brc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000426325187 1083210262 /nfs/dbraw/zinc/21/02/62/1083210262.db2.gz UMODVYFKWBLHCM-JKSUJKDBSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000426325187 1083210264 /nfs/dbraw/zinc/21/02/64/1083210264.db2.gz UMODVYFKWBLHCM-JKSUJKDBSA-N 1 3 363.343 4.087 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510754588 1083292095 /nfs/dbraw/zinc/29/20/95/1083292095.db2.gz ULFYJZKXKRRMJY-RDTXWAMCSA-N 1 3 351.332 4.146 20 0 FIADHO Cc1ncc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c(C)n1 ZINC000658319529 1083406358 /nfs/dbraw/zinc/40/63/58/1083406358.db2.gz FIZIQTSLLZKOMY-UWJYYQICSA-N 1 3 364.537 4.046 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320352 1083408247 /nfs/dbraw/zinc/40/82/47/1083408247.db2.gz SPAGBBHRCUASOG-XXBNENTESA-N 1 3 364.533 4.132 20 0 FIADHO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320352 1083408249 /nfs/dbraw/zinc/40/82/49/1083408249.db2.gz SPAGBBHRCUASOG-XXBNENTESA-N 1 3 364.533 4.132 20 0 FIADHO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320352 1083408255 /nfs/dbraw/zinc/40/82/55/1083408255.db2.gz SPAGBBHRCUASOG-XXBNENTESA-N 1 3 364.533 4.132 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000192682722 1083510089 /nfs/dbraw/zinc/51/00/89/1083510089.db2.gz PZZCAJAKUOAZEQ-HSZRJFAPSA-N 1 3 367.537 4.444 20 0 FIADHO C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000181323660 1083866396 /nfs/dbraw/zinc/86/63/96/1083866396.db2.gz QPOXMXQRYIWFIJ-KKSFZXQISA-N 1 3 372.484 4.331 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)CC2)c1 ZINC000582032414 1084494360 /nfs/dbraw/zinc/49/43/60/1084494360.db2.gz HGLIODLLXXBCKC-RXVVDRJESA-N 1 3 356.554 4.360 20 0 FIADHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1 ZINC000511058723 1084515335 /nfs/dbraw/zinc/51/53/35/1084515335.db2.gz ZFSQOCSHZJSDQP-UHFFFAOYSA-N 1 3 373.585 4.111 20 0 FIADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1 ZINC000511058723 1084515344 /nfs/dbraw/zinc/51/53/44/1084515344.db2.gz ZFSQOCSHZJSDQP-UHFFFAOYSA-N 1 3 373.585 4.111 20 0 FIADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414167112 1084727466 /nfs/dbraw/zinc/72/74/66/1084727466.db2.gz FXESSFSJADIMPK-GGQGVQAJSA-N 1 3 350.481 4.467 20 0 FIADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414167112 1084727475 /nfs/dbraw/zinc/72/74/75/1084727475.db2.gz FXESSFSJADIMPK-GGQGVQAJSA-N 1 3 350.481 4.467 20 0 FIADHO COc1ccc([C@H](NCC[C@@H]2CCC[N@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191421 1084775825 /nfs/dbraw/zinc/77/58/25/1084775825.db2.gz RWYKEDIKKRPDBM-HTAPYJJXSA-N 1 3 356.485 4.245 20 0 FIADHO COc1ccc([C@H](NCC[C@@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191421 1084775832 /nfs/dbraw/zinc/77/58/32/1084775832.db2.gz RWYKEDIKKRPDBM-HTAPYJJXSA-N 1 3 356.485 4.245 20 0 FIADHO Cc1ccc([C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C2CCC2)o1 ZINC000414305129 1085010943 /nfs/dbraw/zinc/01/09/43/1085010943.db2.gz NGIUNXLAMCPAKV-QFIPXVFZSA-N 1 3 368.521 4.046 20 0 FIADHO C[N@H+](Cc1ccccc1NC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237167052 1085097336 /nfs/dbraw/zinc/09/73/36/1085097336.db2.gz JSJAHWJTQCCTFW-NRFANRHFSA-N 1 3 365.521 4.480 20 0 FIADHO C[N@@H+](Cc1ccccc1NC(=O)C[C@H](N)c1ccccc1)C1CCCCC1 ZINC000237167052 1085097341 /nfs/dbraw/zinc/09/73/41/1085097341.db2.gz JSJAHWJTQCCTFW-NRFANRHFSA-N 1 3 365.521 4.480 20 0 FIADHO c1cncc([C@H]2CCC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000657613728 1085699220 /nfs/dbraw/zinc/69/92/20/1085699220.db2.gz PYLJUQIYBFOHJW-GMAHTHKFSA-N 1 3 364.537 4.005 20 0 FIADHO Cc1ccc2[nH]c(CN3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1C ZINC000473132654 1085732094 /nfs/dbraw/zinc/73/20/94/1085732094.db2.gz NWQPBJMXNWHYGM-QZTJIDSGSA-N 1 3 369.553 4.106 20 0 FIADHO CC(C)C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000652172280 1085739989 /nfs/dbraw/zinc/73/99/89/1085739989.db2.gz SCKDZAMWHHXTMU-FQEVSTJZSA-N 1 3 359.489 4.038 20 0 FIADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(OC(F)(F)F)c1 ZINC000662281080 1086390048 /nfs/dbraw/zinc/39/00/48/1086390048.db2.gz IDPLNHWYVBDGRN-ZDUSSCGKSA-N 1 3 350.384 4.082 20 0 FIADHO CCC[NH+]1CCC(CNCc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000236791034 1086485138 /nfs/dbraw/zinc/48/51/38/1086485138.db2.gz VLMLUIKXZBYTPZ-UHFFFAOYSA-N 1 3 374.960 4.105 20 0 FIADHO C[C@H](NC/C=C\c1ccc(F)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511989782 1086583520 /nfs/dbraw/zinc/58/35/20/1086583520.db2.gz MEOUPPNUBBRVBC-OWQUAZCHSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H](NC/C=C\c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989782 1086583528 /nfs/dbraw/zinc/58/35/28/1086583528.db2.gz MEOUPPNUBBRVBC-OWQUAZCHSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511989782 1086583537 /nfs/dbraw/zinc/58/35/37/1086583537.db2.gz MEOUPPNUBBRVBC-OWQUAZCHSA-N 1 3 356.460 4.478 20 0 FIADHO CCCN1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432418033 1086744382 /nfs/dbraw/zinc/74/43/82/1086744382.db2.gz YCRXEVQBDMFSSX-MXWWQKGMSA-N 1 3 351.332 4.017 20 0 FIADHO C[NH2+]Cc1ccccc1CNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000650720325 1086809706 /nfs/dbraw/zinc/80/97/06/1086809706.db2.gz LMOMDGDIESXKMF-UHFFFAOYSA-N 1 3 374.410 4.105 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773405 1086833192 /nfs/dbraw/zinc/83/31/92/1086833192.db2.gz RIDPVZYOPUJODQ-YLJYHZDGSA-N 1 3 353.485 4.174 20 0 FIADHO c1cc2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2s1 ZINC000650741074 1086915805 /nfs/dbraw/zinc/91/58/05/1086915805.db2.gz XFOGQYLMWBGZAI-WIYYLYMNSA-N 1 3 350.487 4.247 20 0 FIADHO Cc1ccc(-c2nc(CNCC3CC[NH+](CC4CC4)CC3)cs2)cc1 ZINC000657812827 1087084637 /nfs/dbraw/zinc/08/46/37/1087084637.db2.gz GKWWUQJUWCUESD-UHFFFAOYSA-N 1 3 355.551 4.330 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc3cccnc32)CC1 ZINC000151795434 1087259424 /nfs/dbraw/zinc/25/94/24/1087259424.db2.gz GJXXVDLSYMHQPB-UHFFFAOYSA-N 1 3 374.532 4.057 20 0 FIADHO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000089515660 1087395682 /nfs/dbraw/zinc/39/56/82/1087395682.db2.gz OGRXDRSSHPUZKG-QGZVFWFLSA-N 1 3 362.583 4.420 20 0 FIADHO COCCC[NH+]1CCC(N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091317661 1087427904 /nfs/dbraw/zinc/42/79/04/1087427904.db2.gz DTDVKYASNWIWQA-IBGZPJMESA-N 1 3 370.459 4.247 20 0 FIADHO Fc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCS2 ZINC000658163709 1087758547 /nfs/dbraw/zinc/75/85/47/1087758547.db2.gz ABXXCRGGORZPET-HXUWFJFHSA-N 1 3 371.525 4.259 20 0 FIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658164887 1087760256 /nfs/dbraw/zinc/76/02/56/1087760256.db2.gz GMTPSDBNDORTIZ-IBGZPJMESA-N 1 3 367.537 4.432 20 0 FIADHO c1ccc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccn2)cc1 ZINC000658166346 1087762094 /nfs/dbraw/zinc/76/20/94/1087762094.db2.gz NVOVUGXBQIQXSB-DEOSSOPVSA-N 1 3 372.516 4.068 20 0 FIADHO c1ccc([C@H](NCC2CC[NH+](Cc3ccncc3)CC2)c2ccccn2)cc1 ZINC000658166346 1087762108 /nfs/dbraw/zinc/76/21/08/1087762108.db2.gz NVOVUGXBQIQXSB-DEOSSOPVSA-N 1 3 372.516 4.068 20 0 FIADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166195 1087763157 /nfs/dbraw/zinc/76/31/57/1087763157.db2.gz MYVFEBDZDWJWJE-HSZRJFAPSA-N 1 3 351.538 4.213 20 0 FIADHO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000423233538 1088077170 /nfs/dbraw/zinc/07/71/70/1088077170.db2.gz DQCXVFRYTRLTEQ-DNVJHFABSA-N 1 3 351.538 4.235 20 0 FIADHO CSc1cc(Br)ccc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414815583 1088244124 /nfs/dbraw/zinc/24/41/24/1088244124.db2.gz XQNOTESQFHJGOY-LBPRGKRZSA-N 1 3 365.340 4.481 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000514082569 1088722750 /nfs/dbraw/zinc/72/27/50/1088722750.db2.gz HSRFRUJKJLFKIV-UHFFFAOYSA-N 1 3 354.542 4.051 20 0 FIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000514082569 1088722759 /nfs/dbraw/zinc/72/27/59/1088722759.db2.gz HSRFRUJKJLFKIV-UHFFFAOYSA-N 1 3 354.542 4.051 20 0 FIADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1OC ZINC000514084828 1088725387 /nfs/dbraw/zinc/72/53/87/1088725387.db2.gz RWMHCVWASUUIMG-GOSISDBHSA-N 1 3 368.521 4.111 20 0 FIADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1OC ZINC000514084828 1088725399 /nfs/dbraw/zinc/72/53/99/1088725399.db2.gz RWMHCVWASUUIMG-GOSISDBHSA-N 1 3 368.521 4.111 20 0 FIADHO COc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1OC ZINC000514089123 1088735564 /nfs/dbraw/zinc/73/55/64/1088735564.db2.gz OOVRJZPASMYSRC-SFHVURJKSA-N 1 3 368.521 4.459 20 0 FIADHO C[N@@H+]1CC[C@]2(CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117393 1089005467 /nfs/dbraw/zinc/00/54/67/1089005467.db2.gz CPOPSKWHBYDQPI-QFIPXVFZSA-N 1 3 356.460 4.124 20 0 FIADHO C[N@H+]1CC[C@]2(CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000430117393 1089005485 /nfs/dbraw/zinc/00/54/85/1089005485.db2.gz CPOPSKWHBYDQPI-QFIPXVFZSA-N 1 3 356.460 4.124 20 0 FIADHO CN(c1ccccc1)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415050571 1089086931 /nfs/dbraw/zinc/08/69/31/1089086931.db2.gz IMLZAHYTNSHQGV-QFIPXVFZSA-N 1 3 360.505 4.419 20 0 FIADHO [NH3+]CCC[C@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000415044660 1089090590 /nfs/dbraw/zinc/09/05/90/1089090590.db2.gz ATXLDGLGPPJIQD-KRWDZBQOSA-N 1 3 351.263 4.158 20 0 FIADHO CCOc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc(Cl)c1OC ZINC000415063187 1089113802 /nfs/dbraw/zinc/11/38/02/1089113802.db2.gz HAMDVCOZXODFGS-SFHVURJKSA-N 1 3 362.901 4.317 20 0 FIADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(F)c(-c4cccs4)c3)CC2)C1 ZINC000415124028 1089187665 /nfs/dbraw/zinc/18/76/65/1089187665.db2.gz MBYGDAOXEKCGJM-XLIONFOSSA-N 1 3 374.525 4.273 20 0 FIADHO C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980292 1089726861 /nfs/dbraw/zinc/72/68/61/1089726861.db2.gz MQDDGMXLLGFDIG-JPYJTQIMSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980292 1089726873 /nfs/dbraw/zinc/72/68/73/1089726873.db2.gz MQDDGMXLLGFDIG-JPYJTQIMSA-N 1 3 350.506 4.184 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000163781907 1089783464 /nfs/dbraw/zinc/78/34/64/1089783464.db2.gz YNOXVWFEPUOHCI-SSOJOUAXSA-N 1 3 358.551 4.117 20 0 FIADHO COc1ccc2c(c1F)CC[C@H]2NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000584552518 1090085559 /nfs/dbraw/zinc/08/55/59/1090085559.db2.gz GIFGFTSBNFSMCH-HXUWFJFHSA-N 1 3 356.485 4.452 20 0 FIADHO COc1ccc2c(c1F)CC[C@H]2NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000584552518 1090085572 /nfs/dbraw/zinc/08/55/72/1090085572.db2.gz GIFGFTSBNFSMCH-HXUWFJFHSA-N 1 3 356.485 4.452 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181924049 1090317432 /nfs/dbraw/zinc/31/74/32/1090317432.db2.gz VURQSLKQMFZJJY-KRWDZBQOSA-N 1 3 353.510 4.338 20 0 FIADHO CC1(C)Cc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000236691890 1090725323 /nfs/dbraw/zinc/72/53/23/1090725323.db2.gz XPHOWNALHVJJIX-UHFFFAOYSA-N 1 3 350.506 4.154 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000511766246 1091651547 /nfs/dbraw/zinc/65/15/47/1091651547.db2.gz DGSYISHTLVXBEG-CEXWTWQISA-N 1 3 357.542 4.262 20 0 FIADHO C[C@@H]1CC(NC[C@@H]2Cc3ccccc3O2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011931 1092308812 /nfs/dbraw/zinc/30/88/12/1092308812.db2.gz UJFDDQINVYCORQ-HMFYCAOWSA-N 1 3 350.506 4.021 20 0 FIADHO Cc1ccccc1OCCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168012158 1092344498 /nfs/dbraw/zinc/34/44/98/1092344498.db2.gz XBGWBVAVNLVPBA-WOJBJXKFSA-N 1 3 352.522 4.405 20 0 FIADHO COC(=O)c1cc([C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)oc1C ZINC000432781798 1092350314 /nfs/dbraw/zinc/35/03/14/1092350314.db2.gz TWVZWXLJZYAIKV-MRXNPFEDSA-N 1 3 362.514 4.024 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000512542185 1092690365 /nfs/dbraw/zinc/69/03/65/1092690365.db2.gz LWFNMLGEWJFZKX-YOFSQIOKSA-N 1 3 360.505 4.058 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000512542185 1092690366 /nfs/dbraw/zinc/69/03/66/1092690366.db2.gz LWFNMLGEWJFZKX-YOFSQIOKSA-N 1 3 360.505 4.058 20 0 FIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccccc1OCC[NH+](C)C ZINC000474056063 1093159412 /nfs/dbraw/zinc/15/94/12/1093159412.db2.gz MGBRHMLRTQVCSR-NRFANRHFSA-N 1 3 368.521 4.148 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469789833 1093344859 /nfs/dbraw/zinc/34/48/59/1093344859.db2.gz ZXBVJITWILYULD-LPHOPBHVSA-N 1 3 370.990 4.159 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469789833 1093344864 /nfs/dbraw/zinc/34/48/64/1093344864.db2.gz ZXBVJITWILYULD-LPHOPBHVSA-N 1 3 370.990 4.159 20 0 FIADHO C[C@@H]1CC(N[C@@H]2CCc3ccccc3[C@@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023855 1093367308 /nfs/dbraw/zinc/36/73/08/1093367308.db2.gz YLNJTDWMRZWJHR-IMWWXNSKSA-N 1 3 364.533 4.066 20 0 FIADHO COc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000544183380 1093511901 /nfs/dbraw/zinc/51/19/01/1093511901.db2.gz FDUVRURZVFMUFQ-SFHVURJKSA-N 1 3 352.478 4.061 20 0 FIADHO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168031589 1093637597 /nfs/dbraw/zinc/63/75/97/1093637597.db2.gz ZZNBCXFJLXSHEX-PMTGJVGFSA-N 1 3 370.512 4.199 20 0 FIADHO C[C@H]1CC(NCC2(c3ccc(F)cn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032151 1093656241 /nfs/dbraw/zinc/65/62/41/1093656241.db2.gz FOUIWGDMTPTRGO-ROUUACIJSA-N 1 3 367.512 4.284 20 0 FIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000513019864 1093665496 /nfs/dbraw/zinc/66/54/96/1093665496.db2.gz INYIQCBNHFAVCB-VMPFUQBJSA-N 1 3 350.934 4.222 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H]2CCc3ccccc3O2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168036729 1094296443 /nfs/dbraw/zinc/29/64/43/1094296443.db2.gz WSGFMFAQRJFOAW-IYRWYFENSA-N 1 3 364.533 4.411 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H]2CCc3ccccc3O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036729 1094296453 /nfs/dbraw/zinc/29/64/53/1094296453.db2.gz WSGFMFAQRJFOAW-IYRWYFENSA-N 1 3 364.533 4.411 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000501013540 1094431696 /nfs/dbraw/zinc/43/16/96/1094431696.db2.gz ZVOSGDMIEPTRNM-NRFANRHFSA-N 1 3 363.977 4.187 20 0 FIADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000501075981 1094493877 /nfs/dbraw/zinc/49/38/77/1094493877.db2.gz IXVSOLURMMSURX-UHFFFAOYSA-N 1 3 372.384 4.231 20 0 FIADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000501075981 1094493889 /nfs/dbraw/zinc/49/38/89/1094493889.db2.gz IXVSOLURMMSURX-UHFFFAOYSA-N 1 3 372.384 4.231 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@H+](C)C(C)C ZINC000467295216 1094569762 /nfs/dbraw/zinc/56/97/62/1094569762.db2.gz KNHNSYNGASRXCU-OAQYLSRUSA-N 1 3 356.485 4.452 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@@H+](C)C(C)C ZINC000467295216 1094569770 /nfs/dbraw/zinc/56/97/70/1094569770.db2.gz KNHNSYNGASRXCU-OAQYLSRUSA-N 1 3 356.485 4.452 20 0 FIADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1OC ZINC000474793552 1094629913 /nfs/dbraw/zinc/62/99/13/1094629913.db2.gz DWCVPUAYNLHXEP-DLBZAZTESA-N 1 3 360.542 4.192 20 0 FIADHO COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1OC ZINC000502269723 1095287747 /nfs/dbraw/zinc/28/77/47/1095287747.db2.gz PMYMNMGSUUNNFZ-SFHVURJKSA-N 1 3 374.569 4.187 20 0 FIADHO CCc1cc(OC)ccc1CN1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000503560713 1096464006 /nfs/dbraw/zinc/46/40/06/1096464006.db2.gz ZKOYQNOJTSBWAR-QFIPXVFZSA-N 1 3 367.537 4.139 20 0 FIADHO CCc1cc(OC)ccc1CN1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000503560713 1096464008 /nfs/dbraw/zinc/46/40/08/1096464008.db2.gz ZKOYQNOJTSBWAR-QFIPXVFZSA-N 1 3 367.537 4.139 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000422742734 1096478396 /nfs/dbraw/zinc/47/83/96/1096478396.db2.gz HABDFOQNRSAFOW-JXFKEZNVSA-N 1 3 372.582 4.034 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000422742655 1096478472 /nfs/dbraw/zinc/47/84/72/1096478472.db2.gz GSFIVHSZTLUIOF-YCRPNKLZSA-N 1 3 374.960 4.236 20 0 FIADHO CC(C)[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422778320 1096489208 /nfs/dbraw/zinc/48/92/08/1096489208.db2.gz DJOFLKXTKZBWHY-HJNYFJLDSA-N 1 3 354.469 4.368 20 0 FIADHO COc1ccc2cc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422799495 1096493653 /nfs/dbraw/zinc/49/36/53/1096493653.db2.gz XAGDRFOHBXONAE-VWNXMTODSA-N 1 3 374.484 4.194 20 0 FIADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000422807139 1096496238 /nfs/dbraw/zinc/49/62/38/1096496238.db2.gz OMACGXJWFKTIBW-HLLQZAQXSA-N 1 3 374.431 4.195 20 0 FIADHO COc1ccc([C@@H](NC2CCC([NH3+])CC2)c2ccccc2Cl)cc1OC ZINC000422925467 1096525941 /nfs/dbraw/zinc/52/59/41/1096525941.db2.gz VILLQIJFXYRVAO-CPAJTMIGSA-N 1 3 374.912 4.306 20 0 FIADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423035611 1096556119 /nfs/dbraw/zinc/55/61/19/1096556119.db2.gz SADHWNIFUKZMTA-BEFAXECRSA-N 1 3 370.368 4.065 20 0 FIADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093232 1096571984 /nfs/dbraw/zinc/57/19/84/1096571984.db2.gz GQNYMIZQFNBVMG-PYTWLRIVSA-N 1 3 355.295 4.084 20 0 FIADHO CCCN(C)[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423102696 1096576574 /nfs/dbraw/zinc/57/65/74/1096576574.db2.gz KKTRFOHYODPKFB-BTYIYWSLSA-N 1 3 374.960 4.236 20 0 FIADHO CSc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112051 1096585535 /nfs/dbraw/zinc/58/55/35/1096585535.db2.gz XGZVPQVDHFNTRE-PAXLWEDBSA-N 1 3 354.519 4.315 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423164847 1096599860 /nfs/dbraw/zinc/59/98/60/1096599860.db2.gz TUICRSQWJMEPQV-OAHLLOKOSA-N 1 3 359.464 4.143 20 0 FIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)c(Br)c1 ZINC000423291523 1096636001 /nfs/dbraw/zinc/63/60/01/1096636001.db2.gz ISGPRSVNYFXKHU-NWDGAFQWSA-N 1 3 351.263 4.459 20 0 FIADHO Cc1c([C@H](C)NCC2=CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423346803 1096646583 /nfs/dbraw/zinc/64/65/83/1096646583.db2.gz PQDYYGMSTJNKCT-LBPRGKRZSA-N 1 3 365.308 4.058 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000423354084 1096654122 /nfs/dbraw/zinc/65/41/22/1096654122.db2.gz CMYVVCQSTDWWMF-HOYKHHGWSA-N 1 3 363.549 4.331 20 0 FIADHO C[C@H](CCC[NH3+])N[C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423452834 1096681463 /nfs/dbraw/zinc/68/14/63/1096681463.db2.gz KBNSULSYCYLBJD-FZKQIMNGSA-N 1 3 365.290 4.395 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000423472248 1096694037 /nfs/dbraw/zinc/69/40/37/1096694037.db2.gz NBWWBYXMSBSRBT-SGXKBVARSA-N 1 3 356.485 4.187 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000423482437 1096696699 /nfs/dbraw/zinc/69/66/99/1096696699.db2.gz XRMPACFEBABUFD-URHOCTSQSA-N 1 3 367.512 4.230 20 0 FIADHO CSc1cccc([C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)c2cc(F)ccc2F)c1 ZINC000423493361 1096706214 /nfs/dbraw/zinc/70/62/14/1096706214.db2.gz BHQHDDSIPYGTCE-AUJRIZCKSA-N 1 3 362.489 4.493 20 0 FIADHO COc1cc(OC)c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423496701 1096707389 /nfs/dbraw/zinc/70/73/89/1096707389.db2.gz FKDMDSNMELJTKH-KSSFIOAISA-N 1 3 362.901 4.488 20 0 FIADHO [NH3+]CCC[C@@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)c1ccccc1 ZINC000423524475 1096712981 /nfs/dbraw/zinc/71/29/81/1096712981.db2.gz XBBBVLSNVCKOJZ-FGZHOGPDSA-N 1 3 360.505 4.320 20 0 FIADHO Fc1cccc2[nH]c(CNCc3ccc(OCC[NH+]4CCCC4)cc3)cc21 ZINC000436229619 1098836430 /nfs/dbraw/zinc/83/64/30/1098836430.db2.gz FLFOHCTWLIRJIM-UHFFFAOYSA-N 1 3 367.468 4.071 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@@H]2CCC[C@@H]21 ZINC000516324644 1099371208 /nfs/dbraw/zinc/37/12/08/1099371208.db2.gz XWBHALNZIDQFTM-FUDKSRODSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@@H]2CCC[C@@H]21 ZINC000516324644 1099371226 /nfs/dbraw/zinc/37/12/26/1099371226.db2.gz XWBHALNZIDQFTM-FUDKSRODSA-N 1 3 374.532 4.047 20 0 FIADHO CN(c1ccccc1)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cn1 ZINC000437132876 1099630121 /nfs/dbraw/zinc/63/01/21/1099630121.db2.gz HXHRUTIWBFJQBA-UHFFFAOYSA-N 1 3 352.526 4.013 20 0 FIADHO C[C@@H]([NH2+]CCc1nc2ccccc2s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508691804 1099824415 /nfs/dbraw/zinc/82/44/15/1099824415.db2.gz QEPKUATUQSQHRB-IEBWSBKVSA-N 1 3 365.546 4.339 20 0 FIADHO C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508714128 1099882301 /nfs/dbraw/zinc/88/23/01/1099882301.db2.gz URYPLNOZYSXPLR-NQIIRXRSSA-N 1 3 365.521 4.013 20 0 FIADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708936 1099887717 /nfs/dbraw/zinc/88/77/17/1099887717.db2.gz FCXQGUBSRIBUKA-BAGYTPMASA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708936 1099887731 /nfs/dbraw/zinc/88/77/31/1099887731.db2.gz FCXQGUBSRIBUKA-BAGYTPMASA-N 1 3 369.553 4.163 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cc1OC ZINC000379625508 1100223563 /nfs/dbraw/zinc/22/35/63/1100223563.db2.gz FTKGDRYMPCTUHC-QZTJIDSGSA-N 1 3 356.510 4.265 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459589243 1100330777 /nfs/dbraw/zinc/33/07/77/1100330777.db2.gz XYGFOMUQMWDAAY-QFIPXVFZSA-N 1 3 355.570 4.020 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459589243 1100330785 /nfs/dbraw/zinc/33/07/85/1100330785.db2.gz XYGFOMUQMWDAAY-QFIPXVFZSA-N 1 3 355.570 4.020 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000536834946 1100347002 /nfs/dbraw/zinc/34/70/02/1100347002.db2.gz YUAWAHMAUFSGAA-ICSRJNTNSA-N 1 3 354.542 4.199 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000536834946 1100347009 /nfs/dbraw/zinc/34/70/09/1100347009.db2.gz YUAWAHMAUFSGAA-ICSRJNTNSA-N 1 3 354.542 4.199 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000536847765 1100359905 /nfs/dbraw/zinc/35/99/05/1100359905.db2.gz WSZGXAUKEDUZDY-XXBNENTESA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000536847765 1100359916 /nfs/dbraw/zinc/35/99/16/1100359916.db2.gz WSZGXAUKEDUZDY-XXBNENTESA-N 1 3 374.532 4.181 20 0 FIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536856340 1100371918 /nfs/dbraw/zinc/37/19/18/1100371918.db2.gz FBMUOYAUHUYHBN-IKGGRYGDSA-N 1 3 372.475 4.115 20 0 FIADHO Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000536861402 1100378354 /nfs/dbraw/zinc/37/83/54/1100378354.db2.gz CVKAMSAAHNCKCM-LJQANCHMSA-N 1 3 363.343 4.433 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322397 1101266453 /nfs/dbraw/zinc/26/64/53/1101266453.db2.gz IQWAKACILAODOG-PBFPGSCMSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322397 1101266459 /nfs/dbraw/zinc/26/64/59/1101266459.db2.gz IQWAKACILAODOG-PBFPGSCMSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024564 1101403169 /nfs/dbraw/zinc/40/31/69/1101403169.db2.gz PVUUPHVVHNLJAW-RXVVDRJESA-N 1 3 353.510 4.186 20 0 FIADHO CCC[NH+]1CCC(NC[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000537060211 1101417503 /nfs/dbraw/zinc/41/75/03/1101417503.db2.gz SQGTXXQJQBWDLC-CQSZACIVSA-N 1 3 371.388 4.394 20 0 FIADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000506611225 1101546879 /nfs/dbraw/zinc/54/68/79/1101546879.db2.gz LGXKMCYAPINMOH-UHFFFAOYSA-N 1 3 372.340 4.127 20 0 FIADHO C[NH+](C)CCOc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccn1 ZINC000537308124 1101633029 /nfs/dbraw/zinc/63/30/29/1101633029.db2.gz QWFSBAXIAZHSQY-OAQYLSRUSA-N 1 3 353.510 4.043 20 0 FIADHO COCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000519076377 1101900090 /nfs/dbraw/zinc/90/00/90/1101900090.db2.gz STRJBMSBDMUGHK-LJQANCHMSA-N 1 3 370.459 4.247 20 0 FIADHO CCC[NH+](CCC)CCN1CCN([C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168188749 1102193015 /nfs/dbraw/zinc/19/30/15/1102193015.db2.gz OHPLSCLYACUERN-IBGZPJMESA-N 1 3 365.993 4.011 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)CCN1Cc1ccccc1 ZINC000532441725 1102330871 /nfs/dbraw/zinc/33/08/71/1102330871.db2.gz FHAKPWRZKLRPMI-FCEUIQTBSA-N 1 3 367.537 4.059 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(CO)c1 ZINC000121535338 1102409820 /nfs/dbraw/zinc/40/98/20/1102409820.db2.gz QCOOCFLAIPVRCV-LJQANCHMSA-N 1 3 352.522 4.406 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)[C@H](C)C1 ZINC000122319515 1102566114 /nfs/dbraw/zinc/56/61/14/1102566114.db2.gz MGCRAZDFUQKPPQ-RYRKJORJSA-N 1 3 361.555 4.084 20 0 FIADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550881907 1102653170 /nfs/dbraw/zinc/65/31/70/1102653170.db2.gz FVONANQCVCXADB-BHDDXSALSA-N 1 3 370.581 4.330 20 0 FIADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550881909 1102653213 /nfs/dbraw/zinc/65/32/13/1102653213.db2.gz FVONANQCVCXADB-YPAWHYETSA-N 1 3 370.581 4.330 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889755 1102661749 /nfs/dbraw/zinc/66/17/49/1102661749.db2.gz CZSLAWDJDWZNAK-OTWHNJEPSA-N 1 3 367.537 4.419 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889755 1102661757 /nfs/dbraw/zinc/66/17/57/1102661757.db2.gz CZSLAWDJDWZNAK-OTWHNJEPSA-N 1 3 367.537 4.419 20 0 FIADHO Cc1nc(C)c(CN2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664838598 1102706116 /nfs/dbraw/zinc/70/61/16/1102706116.db2.gz VDXLRFJHMJHLLI-QFIPXVFZSA-N 1 3 367.537 4.414 20 0 FIADHO c1ccc(C[N@H+]2CCC3(C2)CCN(CC2=Cc4ccccc4OC2)CC3)cc1 ZINC000537659576 1102762126 /nfs/dbraw/zinc/76/21/26/1102762126.db2.gz LXJLEAVFTDKAHF-UHFFFAOYSA-N 1 3 374.528 4.451 20 0 FIADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(CC2=Cc4ccccc4OC2)CC3)cc1 ZINC000537659576 1102762141 /nfs/dbraw/zinc/76/21/41/1102762141.db2.gz LXJLEAVFTDKAHF-UHFFFAOYSA-N 1 3 374.528 4.451 20 0 FIADHO CCN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660326 1102783396 /nfs/dbraw/zinc/78/33/96/1102783396.db2.gz CNCSFDFPLCPDBX-QHCPKHFHSA-N 1 3 374.532 4.216 20 0 FIADHO CCN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660326 1102783409 /nfs/dbraw/zinc/78/34/09/1102783409.db2.gz CNCSFDFPLCPDBX-QHCPKHFHSA-N 1 3 374.532 4.216 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000506863765 1102924072 /nfs/dbraw/zinc/92/40/72/1102924072.db2.gz XRZLCRUICNONKQ-UHFFFAOYSA-N 1 3 358.448 4.182 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000506949185 1102977633 /nfs/dbraw/zinc/97/76/33/1102977633.db2.gz ZZALSDGLHGWURC-UHFFFAOYSA-N 1 3 354.542 4.125 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000506949185 1102977637 /nfs/dbraw/zinc/97/76/37/1102977637.db2.gz ZZALSDGLHGWURC-UHFFFAOYSA-N 1 3 354.542 4.125 20 0 FIADHO CC1(C)Cc2cc(CNCc3cccc(C[NH+]4CCCC4)c3)ccc2O1 ZINC000729678805 1103035509 /nfs/dbraw/zinc/03/55/09/1103035509.db2.gz PSWZBVUOIJGDTE-UHFFFAOYSA-N 1 3 350.506 4.286 20 0 FIADHO COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000551580456 1103405167 /nfs/dbraw/zinc/40/51/67/1103405167.db2.gz KLZUYCIMACXQRU-UHFFFAOYSA-N 1 3 374.912 4.111 20 0 FIADHO COc1ccc(C2([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC000507519401 1103443752 /nfs/dbraw/zinc/44/37/52/1103443752.db2.gz IEXYWXKDJFBEKV-WWPVKYPJSA-N 1 3 362.517 4.185 20 0 FIADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000551778468 1103624087 /nfs/dbraw/zinc/62/40/87/1103624087.db2.gz ITGDRIZJWDDVMX-DLBZAZTESA-N 1 3 368.949 4.279 20 0 FIADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000551778468 1103624106 /nfs/dbraw/zinc/62/41/06/1103624106.db2.gz ITGDRIZJWDDVMX-DLBZAZTESA-N 1 3 368.949 4.279 20 0 FIADHO CCCN1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000538197887 1104032559 /nfs/dbraw/zinc/03/25/59/1104032559.db2.gz SCXPUKDQGPVZFV-OAQYLSRUSA-N 1 3 357.929 4.483 20 0 FIADHO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538295262 1104112962 /nfs/dbraw/zinc/11/29/62/1104112962.db2.gz BILCWCWOROWOPR-QFBILLFUSA-N 1 3 356.535 4.257 20 0 FIADHO Brc1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)s1 ZINC000190582868 1104934199 /nfs/dbraw/zinc/93/41/99/1104934199.db2.gz XLJZIAMMGFUNAK-BZNIZROVSA-N 1 3 355.345 4.036 20 0 FIADHO Brc1ccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582868 1104934200 /nfs/dbraw/zinc/93/42/00/1104934200.db2.gz XLJZIAMMGFUNAK-BZNIZROVSA-N 1 3 355.345 4.036 20 0 FIADHO Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC001168007422 1105130322 /nfs/dbraw/zinc/13/03/22/1105130322.db2.gz AQPHGOBIFBJRPS-CEQLMSFQSA-N 1 3 362.521 4.174 20 0 FIADHO CN(C)CC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000427866886 1105304170 /nfs/dbraw/zinc/30/41/70/1105304170.db2.gz NEDQLHBMZRDUQK-QGZVFWFLSA-N 1 3 355.448 4.189 20 0 FIADHO CC(C)OC1CC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000428084455 1105360164 /nfs/dbraw/zinc/36/01/64/1105360164.db2.gz NXYVHOXLGUFFAI-UHFFFAOYSA-N 1 3 350.934 4.098 20 0 FIADHO COCCC[C@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000475353678 1106749109 /nfs/dbraw/zinc/74/91/09/1106749109.db2.gz XHPFXPVALKPSBJ-JOCHJYFZSA-N 1 3 358.570 4.411 20 0 FIADHO CCOC(=O)C1(C)CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168065426 1106912731 /nfs/dbraw/zinc/91/27/31/1106912731.db2.gz VTUNQZVVONBFEM-CEQLMSFQSA-N 1 3 372.553 4.093 20 0 FIADHO CCOC(=O)C1(C)CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168065426 1106912732 /nfs/dbraw/zinc/91/27/32/1106912732.db2.gz VTUNQZVVONBFEM-CEQLMSFQSA-N 1 3 372.553 4.093 20 0 FIADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 ZINC000643455505 1106980186 /nfs/dbraw/zinc/98/01/86/1106980186.db2.gz NOFUJUCUKALBKN-KYNGSXCRSA-N 1 3 361.411 4.019 20 0 FIADHO Clc1ccc(N2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c(Cl)c1 ZINC000530440647 1107043705 /nfs/dbraw/zinc/04/37/05/1107043705.db2.gz CWGODASZHZPYPI-KRWDZBQOSA-N 1 3 368.352 4.036 20 0 FIADHO CN(C)Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000531052250 1107488315 /nfs/dbraw/zinc/48/83/15/1107488315.db2.gz PGOCTHNRSSBYHW-UHFFFAOYSA-N 1 3 365.521 4.377 20 0 FIADHO [NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccccc1 ZINC000303983284 1107803628 /nfs/dbraw/zinc/80/36/28/1107803628.db2.gz GZXZRPVGDSNAIA-UHFFFAOYSA-N 1 3 356.901 4.188 20 0 FIADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@@H](C)C1 ZINC000531683152 1108070745 /nfs/dbraw/zinc/07/07/45/1108070745.db2.gz XHNADAZFYWOTJY-AZUAARDMSA-N 1 3 353.510 4.311 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000531705606 1108083660 /nfs/dbraw/zinc/08/36/60/1108083660.db2.gz XCVGXNQFIXVWPM-NRFANRHFSA-N 1 3 358.913 4.448 20 0 FIADHO CCn1ccnc1[C@H](C)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000453184229 1108253170 /nfs/dbraw/zinc/25/31/70/1108253170.db2.gz UDBJBWPZZOWNLN-IBGZPJMESA-N 1 3 354.542 4.246 20 0 FIADHO CCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000453186682 1108256188 /nfs/dbraw/zinc/25/61/88/1108256188.db2.gz WZMBFWNAUUPWLN-UYAOXDASSA-N 1 3 352.526 4.171 20 0 FIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000531990047 1108519499 /nfs/dbraw/zinc/51/94/99/1108519499.db2.gz NERUZNKGLFMYDT-SFHVURJKSA-N 1 3 356.432 4.283 20 0 FIADHO c1nc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000453593222 1108649700 /nfs/dbraw/zinc/64/97/00/1108649700.db2.gz BNPGVGRMVLELMR-JOCHJYFZSA-N 1 3 353.510 4.331 20 0 FIADHO Cc1cc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000447560012 1109581643 /nfs/dbraw/zinc/58/16/43/1109581643.db2.gz BSYMKQADEDAUGK-HOTGVXAUSA-N 1 3 359.489 4.199 20 0 FIADHO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)o1 ZINC000447560012 1109581646 /nfs/dbraw/zinc/58/16/46/1109581646.db2.gz BSYMKQADEDAUGK-HOTGVXAUSA-N 1 3 359.489 4.199 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000447577580 1109593747 /nfs/dbraw/zinc/59/37/47/1109593747.db2.gz IIYLVXGPLIGTLE-WWPVKYPJSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000447577580 1109593751 /nfs/dbraw/zinc/59/37/51/1109593751.db2.gz IIYLVXGPLIGTLE-WWPVKYPJSA-N 1 3 352.522 4.264 20 0 FIADHO Fc1ccc(Br)c2c1CC[C@H]2NCC1CC[NH+](C2CC2)CC1 ZINC000447580739 1109595020 /nfs/dbraw/zinc/59/50/20/1109595020.db2.gz RFIOQIMQTMUSIP-QGZVFWFLSA-N 1 3 367.306 4.040 20 0 FIADHO C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000544422445 1109792030 /nfs/dbraw/zinc/79/20/30/1109792030.db2.gz XXIIEMIBPMVVNK-SJORKVTESA-N 1 3 350.934 4.352 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527845314 1109832802 /nfs/dbraw/zinc/83/28/02/1109832802.db2.gz DLJVJSJMKHYHJV-HXUWFJFHSA-N 1 3 362.876 4.197 20 0 FIADHO C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000527969788 1109877621 /nfs/dbraw/zinc/87/76/21/1109877621.db2.gz RMEWOXMBZXMFOW-VGOFRKELSA-N 1 3 353.510 4.214 20 0 FIADHO C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000527969791 1109878343 /nfs/dbraw/zinc/87/83/43/1109878343.db2.gz RMEWOXMBZXMFOW-VGSWGCGISA-N 1 3 353.510 4.214 20 0 FIADHO c1cc(C[NH+]2CCCC2)ccc1CNCc1ccc2c(c1)OCCCCO2 ZINC000449066862 1109971372 /nfs/dbraw/zinc/97/13/72/1109971372.db2.gz GJEUWRZGJGUFFZ-UHFFFAOYSA-N 1 3 366.505 4.124 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@@H](C)C1 ZINC000449139404 1109984048 /nfs/dbraw/zinc/98/40/48/1109984048.db2.gz KYPIRVMERINKIL-AVRDEDQJSA-N 1 3 370.537 4.075 20 0 FIADHO Cc1noc(C)c1[C@H](C)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449186258 1109994622 /nfs/dbraw/zinc/99/46/22/1109994622.db2.gz JCUWQISXVOUBRM-IAGOWNOFSA-N 1 3 355.526 4.080 20 0 FIADHO CCCCn1cc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)c(C)n1 ZINC000449210622 1109996473 /nfs/dbraw/zinc/99/64/73/1109996473.db2.gz WOCQLSXKZWQNOB-IBGZPJMESA-N 1 3 368.569 4.177 20 0 FIADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000449219038 1109999935 /nfs/dbraw/zinc/99/99/35/1109999935.db2.gz MCTFMFSQFBUYTE-GHTZIAJQSA-N 1 3 371.594 4.036 20 0 FIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746666 1111278820 /nfs/dbraw/zinc/27/88/20/1111278820.db2.gz RCVVIQFBZDPNJC-IPJJNNNSSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746666 1111278825 /nfs/dbraw/zinc/27/88/25/1111278825.db2.gz RCVVIQFBZDPNJC-IPJJNNNSSA-N 1 3 351.538 4.314 20 0 FIADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000538751138 1111281603 /nfs/dbraw/zinc/28/16/03/1111281603.db2.gz RNKSZLWTGQPCTL-UHFFFAOYSA-N 1 3 367.603 4.011 20 0 FIADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000538751138 1111281605 /nfs/dbraw/zinc/28/16/05/1111281605.db2.gz RNKSZLWTGQPCTL-UHFFFAOYSA-N 1 3 367.603 4.011 20 0 FIADHO CC[NH+]1CCC(N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462036585 1111468778 /nfs/dbraw/zinc/46/87/78/1111468778.db2.gz FIWQYZZGMUFCSH-OAQYLSRUSA-N 1 3 368.521 4.062 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C[C@@H](C)O1 ZINC000539260747 1111497916 /nfs/dbraw/zinc/49/79/16/1111497916.db2.gz HGIFUDCIVZITRY-GPMSIDNRSA-N 1 3 366.933 4.033 20 0 FIADHO Cc1nc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)nc2ccccc12 ZINC000552044734 1111555489 /nfs/dbraw/zinc/55/54/89/1111555489.db2.gz LJJVJFHCESVLRT-UHFFFAOYSA-N 1 3 374.532 4.471 20 0 FIADHO Cc1nc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)nc2ccccc12 ZINC000552044734 1111555493 /nfs/dbraw/zinc/55/54/93/1111555493.db2.gz LJJVJFHCESVLRT-UHFFFAOYSA-N 1 3 374.532 4.471 20 0 FIADHO COc1ccc(-c2csc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)c2)cc1 ZINC000552047581 1111556967 /nfs/dbraw/zinc/55/69/67/1111556967.db2.gz RFENYWWNEVJWJT-HBMCJLEFSA-N 1 3 356.535 4.386 20 0 FIADHO COc1ccc(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)c(C)c1OC ZINC000552048310 1111557605 /nfs/dbraw/zinc/55/76/05/1111557605.db2.gz OHYOVEYQXXKSNZ-KRWDZBQOSA-N 1 3 374.569 4.187 20 0 FIADHO COc1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000552273557 1111655283 /nfs/dbraw/zinc/65/52/83/1111655283.db2.gz MBKXJYAKXAKPJL-UHFFFAOYSA-N 1 3 368.496 4.322 20 0 FIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000552832231 1111818853 /nfs/dbraw/zinc/81/88/53/1111818853.db2.gz XWXSYIVHVGODFQ-UHFFFAOYSA-N 1 3 371.569 4.119 20 0 FIADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367205 1112001858 /nfs/dbraw/zinc/00/18/58/1112001858.db2.gz WEEBUOHCQHLBOQ-SCLBCKFNSA-N 1 3 363.343 4.245 20 0 FIADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367205 1112001861 /nfs/dbraw/zinc/00/18/61/1112001861.db2.gz WEEBUOHCQHLBOQ-SCLBCKFNSA-N 1 3 363.343 4.245 20 0 FIADHO C[C@H]([NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480162459 1112309065 /nfs/dbraw/zinc/30/90/65/1112309065.db2.gz BRJDGEWZYXAQGN-BBWFWOEESA-N 1 3 373.928 4.195 20 0 FIADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000480610234 1112500368 /nfs/dbraw/zinc/50/03/68/1112500368.db2.gz NBFNZZLQBIIIBR-KSSFIOAISA-N 1 3 358.357 4.060 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000480604877 1112504940 /nfs/dbraw/zinc/50/49/40/1112504940.db2.gz GCOFDOOYFDFTKW-HOTGVXAUSA-N 1 3 352.494 4.148 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000480604877 1112504945 /nfs/dbraw/zinc/50/49/45/1112504945.db2.gz GCOFDOOYFDFTKW-HOTGVXAUSA-N 1 3 352.494 4.148 20 0 FIADHO C[C@@H]1C[NH+](Cc2ccccc2CNCc2ccsc2Cl)C[C@@H](C)O1 ZINC000480667216 1112535753 /nfs/dbraw/zinc/53/57/53/1112535753.db2.gz QYRKVNKKZSQOPV-HUUCEWRRSA-N 1 3 364.942 4.301 20 0 FIADHO Cc1cc2c(cc1C)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CCCO2 ZINC000481318448 1112888897 /nfs/dbraw/zinc/88/88/97/1112888897.db2.gz VPTCBCINHKPEIW-QFIPXVFZSA-N 1 3 368.521 4.247 20 0 FIADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000481651076 1113012309 /nfs/dbraw/zinc/01/23/09/1113012309.db2.gz CUUKVQZVYMEAGN-YESZJQIVSA-N 1 3 372.475 4.115 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000482334313 1113228099 /nfs/dbraw/zinc/22/80/99/1113228099.db2.gz NSAZRZFUJIJXDC-HTAPYJJXSA-N 1 3 371.569 4.320 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000482334313 1113228102 /nfs/dbraw/zinc/22/81/02/1113228102.db2.gz NSAZRZFUJIJXDC-HTAPYJJXSA-N 1 3 371.569 4.320 20 0 FIADHO Cc1cccc2nc(C3CCN(Cc4ccnn4-c4ccncc4)CC3)oc21 ZINC000668029885 1113241609 /nfs/dbraw/zinc/24/16/09/1113241609.db2.gz DJWBGILVRQGBQQ-UHFFFAOYSA-N 1 3 373.460 4.097 20 0 FIADHO Cc1cccc2nc(C3CCN(Cc4ccnn4-c4cc[nH+]cc4)CC3)oc21 ZINC000668029885 1113241613 /nfs/dbraw/zinc/24/16/13/1113241613.db2.gz DJWBGILVRQGBQQ-UHFFFAOYSA-N 1 3 373.460 4.097 20 0 FIADHO Cc1cccc2nc(C3CC[NH+](Cc4ccnn4-c4ccncc4)CC3)oc21 ZINC000668029885 1113241617 /nfs/dbraw/zinc/24/16/17/1113241617.db2.gz DJWBGILVRQGBQQ-UHFFFAOYSA-N 1 3 373.460 4.097 20 0 FIADHO COc1ccc(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000482647781 1113319756 /nfs/dbraw/zinc/31/97/56/1113319756.db2.gz CCFJZHCPTDDYRX-KRWDZBQOSA-N 1 3 360.542 4.022 20 0 FIADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000668169271 1113404976 /nfs/dbraw/zinc/40/49/76/1113404976.db2.gz MDVPRPNXSDZOLB-IBGZPJMESA-N 1 3 369.484 4.177 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000483183248 1113459077 /nfs/dbraw/zinc/45/90/77/1113459077.db2.gz JFHQAMIMBAFLJD-APWZRJJASA-N 1 3 362.562 4.234 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000483183251 1113459100 /nfs/dbraw/zinc/45/91/00/1113459100.db2.gz JFHQAMIMBAFLJD-LPHOPBHVSA-N 1 3 362.562 4.234 20 0 FIADHO c1ccc2c(c1)sc1c2CCC[C@H]1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483219528 1113467004 /nfs/dbraw/zinc/46/70/04/1113467004.db2.gz UGCOASIGJKXVSF-OXJNMPFZSA-N 1 3 370.562 4.369 20 0 FIADHO CC(C)Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486532976 1113589656 /nfs/dbraw/zinc/58/96/56/1113589656.db2.gz GZAUMMNTMSSFNW-IEBWSBKVSA-N 1 3 357.567 4.342 20 0 FIADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cc4ccc(F)cc4[nH]3)CC2)C[C@H](C)O1 ZINC000488349224 1113913295 /nfs/dbraw/zinc/91/32/95/1113913295.db2.gz BXHRHWCMKXUNHX-CALCHBBNSA-N 1 3 373.516 4.018 20 0 FIADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cc4ccc(F)cc4[nH]3)CC2)C[C@H](C)O1 ZINC000488349224 1113913301 /nfs/dbraw/zinc/91/33/01/1113913301.db2.gz BXHRHWCMKXUNHX-CALCHBBNSA-N 1 3 373.516 4.018 20 0 FIADHO Fc1ccc2c(c1)onc2C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168378729 1114472483 /nfs/dbraw/zinc/47/24/83/1114472483.db2.gz RPCWDJVZJSJGDH-UHFFFAOYSA-N 1 3 357.473 4.021 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000589836153 1114846936 /nfs/dbraw/zinc/84/69/36/1114846936.db2.gz HLERECGZZDPKQJ-OAHLLOKOSA-N 1 3 369.347 4.059 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000589836153 1114846937 /nfs/dbraw/zinc/84/69/37/1114846937.db2.gz HLERECGZZDPKQJ-OAHLLOKOSA-N 1 3 369.347 4.059 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)C2 ZINC001168400289 1115036804 /nfs/dbraw/zinc/03/68/04/1115036804.db2.gz LOBYWYBKIJHKFM-AYVPJYCDSA-N 1 3 364.508 4.183 20 0 FIADHO COc1cccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000592463824 1115234679 /nfs/dbraw/zinc/23/46/79/1115234679.db2.gz HPADKAKSLDFWIH-UHFFFAOYSA-N 1 3 358.913 4.350 20 0 FIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C(=O)OC)c(Cl)c2)cc1 ZINC000597043836 1115637562 /nfs/dbraw/zinc/63/75/62/1115637562.db2.gz OTURNOITKDRSEH-UHFFFAOYSA-N 1 3 374.912 4.258 20 0 FIADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000669703970 1115831369 /nfs/dbraw/zinc/83/13/69/1115831369.db2.gz ZUTIUHNIKAXKHO-USWKJHDZSA-N 1 3 356.554 4.082 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000607151514 1116003810 /nfs/dbraw/zinc/00/38/10/1116003810.db2.gz RFXLSMKKRVYXPV-QZTJIDSGSA-N 1 3 364.961 4.094 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509438 1116313825 /nfs/dbraw/zinc/31/38/25/1116313825.db2.gz SHXQKIBYBULFRR-BDJLRTHQSA-N 1 3 357.723 4.021 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074795 1117958925 /nfs/dbraw/zinc/95/89/25/1117958925.db2.gz IZJFYACBMKLKRG-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074795 1117958928 /nfs/dbraw/zinc/95/89/28/1117958928.db2.gz IZJFYACBMKLKRG-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000463130736 1117978636 /nfs/dbraw/zinc/97/86/36/1117978636.db2.gz IHTPYYSHVZIRBT-ZJSXRUAMSA-N 1 3 365.565 4.151 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C[C@H](C)O1 ZINC000540320792 1117983125 /nfs/dbraw/zinc/98/31/25/1117983125.db2.gz NBCVVPQVYKWUJS-GQIGUUNPSA-N 1 3 350.934 4.270 20 0 FIADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000463205761 1118020467 /nfs/dbraw/zinc/02/04/67/1118020467.db2.gz NQRUDZGAULHGIB-HXUWFJFHSA-N 1 3 374.532 4.230 20 0 FIADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1nccs1 ZINC000540394208 1118027668 /nfs/dbraw/zinc/02/76/68/1118027668.db2.gz IZUOSPRGEGLDIJ-BZSNNMDCSA-N 1 3 373.566 4.003 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000540419300 1118045111 /nfs/dbraw/zinc/04/51/11/1118045111.db2.gz WFINIWQLHAMGEQ-IIYDPXPESA-N 1 3 369.372 4.163 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000540419300 1118045116 /nfs/dbraw/zinc/04/51/16/1118045116.db2.gz WFINIWQLHAMGEQ-IIYDPXPESA-N 1 3 369.372 4.163 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C2CCCC2)o1 ZINC000540493146 1118090708 /nfs/dbraw/zinc/09/07/08/1118090708.db2.gz WHMQDTWVSSJBNL-RZUBCFFCSA-N 1 3 360.542 4.177 20 0 FIADHO CCC1(CC)[C@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@@H]1OC ZINC000540494198 1118091573 /nfs/dbraw/zinc/09/15/73/1118091573.db2.gz XJIGVLLMYXPFDA-TYPHKJRUSA-N 1 3 372.553 4.158 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658650 1118177767 /nfs/dbraw/zinc/17/77/67/1118177767.db2.gz PTPJRFYWFZNSJX-MZKRTTBSSA-N 1 3 370.537 4.487 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195737 1119044050 /nfs/dbraw/zinc/04/40/50/1119044050.db2.gz XBTMHHZLEYEKBP-ZHDKGAKHSA-N 1 3 370.562 4.393 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1OCCc2sccc21 ZINC000492195737 1119044054 /nfs/dbraw/zinc/04/40/54/1119044054.db2.gz XBTMHHZLEYEKBP-ZHDKGAKHSA-N 1 3 370.562 4.393 20 0 FIADHO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311491842 1119376729 /nfs/dbraw/zinc/37/67/29/1119376729.db2.gz CFPPSZIMPIFVME-KPDCDPCYSA-N 1 3 350.506 4.270 20 0 FIADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892242 1119393426 /nfs/dbraw/zinc/39/34/26/1119393426.db2.gz YPKVVOBZLJVWSK-FCHUYYIVSA-N 1 3 356.554 4.228 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000493909049 1119504950 /nfs/dbraw/zinc/50/49/50/1119504950.db2.gz UDEROGPBDBPLCQ-HLAWJBBLSA-N 1 3 374.956 4.099 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916682 1119506447 /nfs/dbraw/zinc/50/64/47/1119506447.db2.gz MCLNFWTYHCWWTE-YOEHRIQHSA-N 1 3 351.332 4.066 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000493916682 1119506451 /nfs/dbraw/zinc/50/64/51/1119506451.db2.gz MCLNFWTYHCWWTE-YOEHRIQHSA-N 1 3 351.332 4.066 20 0 FIADHO CO[C@H](c1ccccc1)[C@@H](C)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896957 1119507623 /nfs/dbraw/zinc/50/76/23/1119507623.db2.gz KLQWYWAEUYOEKC-XXBNENTESA-N 1 3 352.522 4.325 20 0 FIADHO CO[C@H](c1ccccc1)[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000493945734 1119513660 /nfs/dbraw/zinc/51/36/60/1119513660.db2.gz TZXPHCBTTXTHRW-XXBNENTESA-N 1 3 352.522 4.059 20 0 FIADHO C[C@@H](O)[C@](C)(CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000188917547 1119805583 /nfs/dbraw/zinc/80/55/83/1119805583.db2.gz BKGZANILNHFYET-XXBNENTESA-N 1 3 358.570 4.003 20 0 FIADHO c1cc(C[NH+]2CCCCC2)cc(-c2noc(C3CCN(C4CC4)CC3)n2)c1 ZINC000192701731 1120075903 /nfs/dbraw/zinc/07/59/03/1120075903.db2.gz RKHSDWAWRINJOU-UHFFFAOYSA-N 1 3 366.509 4.064 20 0 FIADHO CCO[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000193432028 1120143186 /nfs/dbraw/zinc/14/31/86/1120143186.db2.gz VVCPEZYKFHZWJF-QHCPKHFHSA-N 1 3 370.512 4.200 20 0 FIADHO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001168484336 1120639479 /nfs/dbraw/zinc/63/94/79/1120639479.db2.gz FTULFKXKIUTUDM-IBGZPJMESA-N 1 3 367.512 4.140 20 0 FIADHO C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001168488672 1120858274 /nfs/dbraw/zinc/85/82/74/1120858274.db2.gz SAMXSECKSBYZPL-GOSISDBHSA-N 1 3 356.485 4.338 20 0 FIADHO CCCOc1c(Cl)cc(C[NH2+]C2CCN(C(C)C)CC2)cc1OCC ZINC000237017827 1120972619 /nfs/dbraw/zinc/97/26/19/1120972619.db2.gz RZYWSPKYUOZVMA-UHFFFAOYSA-N 1 3 368.949 4.490 20 0 FIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000315702662 1120993482 /nfs/dbraw/zinc/99/34/82/1120993482.db2.gz VUNQWAJKUGBOMY-CQSZACIVSA-N 1 3 369.347 4.373 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000123729181 1121626929 /nfs/dbraw/zinc/62/69/29/1121626929.db2.gz DNELAHSAMYKAMU-LJQANCHMSA-N 1 3 364.411 4.424 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671739804 1121637435 /nfs/dbraw/zinc/63/74/35/1121637435.db2.gz XIGOYGCOYHBUFG-OAHLLOKOSA-N 1 3 353.466 4.226 20 0 FIADHO C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761359 1121791102 /nfs/dbraw/zinc/79/11/02/1121791102.db2.gz XITOJDSMACUEAW-AOMKIAJQSA-N 1 3 365.477 4.239 20 0 FIADHO C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761359 1121791112 /nfs/dbraw/zinc/79/11/12/1121791112.db2.gz XITOJDSMACUEAW-AOMKIAJQSA-N 1 3 365.477 4.239 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000125566973 1121792844 /nfs/dbraw/zinc/79/28/44/1121792844.db2.gz QGMPWNFSJNRXBP-RTBURBONSA-N 1 3 374.573 4.333 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000125613999 1121797574 /nfs/dbraw/zinc/79/75/74/1121797574.db2.gz AQNVUVGRPVRVIY-HZPDHXFCSA-N 1 3 358.555 4.286 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCC34CCCC4)C3(C2)CCOCC3)cc1 ZINC000556234328 1122751527 /nfs/dbraw/zinc/75/15/27/1122751527.db2.gz WRGZNKUTMNQGIG-FCHUYYIVSA-N 1 3 368.565 4.228 20 0 FIADHO CC(C)c1nnc([C@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000556262795 1122771687 /nfs/dbraw/zinc/77/16/87/1122771687.db2.gz XLPJVVYTWKTGOX-IVMQYODDSA-N 1 3 355.530 4.022 20 0 FIADHO CC(C)c1nnc([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000556262795 1122771693 /nfs/dbraw/zinc/77/16/93/1122771693.db2.gz XLPJVVYTWKTGOX-IVMQYODDSA-N 1 3 355.530 4.022 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000556890427 1123176764 /nfs/dbraw/zinc/17/67/64/1123176764.db2.gz LKHDNBQLJQVCJZ-DGZMEDPXSA-N 1 3 370.581 4.472 20 0 FIADHO c1csc([C@@H](CNC2CC[NH+](C3CCCCC3)CC2)N2CCCC2)c1 ZINC000134130790 1123594977 /nfs/dbraw/zinc/59/49/77/1123594977.db2.gz HNDMHQUAUVQOOR-HXUWFJFHSA-N 1 3 361.599 4.272 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1F ZINC000245852349 1124263752 /nfs/dbraw/zinc/26/37/52/1124263752.db2.gz GOUXMEQDWBYYNZ-IXDOHACOSA-N 1 3 374.475 4.425 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@@H+]3CCCC[C@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654447 1124414605 /nfs/dbraw/zinc/41/46/05/1124414605.db2.gz UBGFNLDBCLUUHI-XJUOHMSHSA-N 1 3 372.553 4.256 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@H+]3CCCC[C@H]3CCN3CCCC3)CCO2)cc1 ZINC001168654447 1124414608 /nfs/dbraw/zinc/41/46/08/1124414608.db2.gz UBGFNLDBCLUUHI-XJUOHMSHSA-N 1 3 372.553 4.256 20 0 FIADHO Cc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000542846554 1124442016 /nfs/dbraw/zinc/44/20/16/1124442016.db2.gz MMANULMQIAYGLM-PGRDOPGGSA-N 1 3 370.512 4.250 20 0 FIADHO Cc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000542846554 1124442023 /nfs/dbraw/zinc/44/20/23/1124442023.db2.gz MMANULMQIAYGLM-PGRDOPGGSA-N 1 3 370.512 4.250 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000246519867 1124522110 /nfs/dbraw/zinc/52/21/10/1124522110.db2.gz UPIIHTRZCIDING-GDIGMMSISA-N 1 3 370.459 4.124 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000246584090 1124536809 /nfs/dbraw/zinc/53/68/09/1124536809.db2.gz YWNAJUNHVYGPBI-FASAQXTFSA-N 1 3 371.352 4.412 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000246895559 1124571997 /nfs/dbraw/zinc/57/19/97/1124571997.db2.gz FPHNUWGZWQTXSC-ZYSHUDEJSA-N 1 3 371.491 4.161 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)c(Cl)cc1Cl ZINC000247133577 1124593681 /nfs/dbraw/zinc/59/36/81/1124593681.db2.gz AURQHWGWENRWIS-OLZOCXBDSA-N 1 3 363.304 4.020 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Cl)cc1Cl ZINC000247133577 1124593686 /nfs/dbraw/zinc/59/36/86/1124593686.db2.gz AURQHWGWENRWIS-OLZOCXBDSA-N 1 3 363.304 4.020 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248456350 1124773601 /nfs/dbraw/zinc/77/36/01/1124773601.db2.gz SFDTZJHHWAXYGU-KKSFZXQISA-N 1 3 358.913 4.148 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248456350 1124773616 /nfs/dbraw/zinc/77/36/16/1124773616.db2.gz SFDTZJHHWAXYGU-KKSFZXQISA-N 1 3 358.913 4.148 20 0 FIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000672619104 1125195283 /nfs/dbraw/zinc/19/52/83/1125195283.db2.gz IOBFRPLVQVSKPP-MMOPVJDHSA-N 1 3 364.961 4.049 20 0 FIADHO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643736 1125438499 /nfs/dbraw/zinc/43/84/99/1125438499.db2.gz INSGGPVNAFWPMT-IFMALSPDSA-N 1 3 357.501 4.189 20 0 FIADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643736 1125438503 /nfs/dbraw/zinc/43/85/03/1125438503.db2.gz INSGGPVNAFWPMT-IFMALSPDSA-N 1 3 357.501 4.189 20 0 FIADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000544827692 1079555045 /nfs/dbraw/zinc/55/50/45/1079555045.db2.gz IJWKWLVUTXJVKL-YWZLYKJASA-N 1 3 350.934 4.413 20 0 FIADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000153250463 1125763699 /nfs/dbraw/zinc/76/36/99/1125763699.db2.gz CMGGJVPCPNWVKN-FQEVSTJZSA-N 1 3 374.532 4.230 20 0 FIADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000109786974 1080751319 /nfs/dbraw/zinc/75/13/19/1080751319.db2.gz GOFGTOVWWTUSIL-UHFFFAOYSA-N 1 3 372.340 4.128 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3cn4ccnc4s3)cc2)C1 ZINC001648808198 1081111967 /nfs/dbraw/zinc/11/19/67/1081111967.db2.gz DWEGYHAEONEBSH-CALCHBBNSA-N 1 3 368.550 4.164 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3cn4ccnc4s3)cc2)C1 ZINC001648808198 1081111973 /nfs/dbraw/zinc/11/19/73/1081111973.db2.gz DWEGYHAEONEBSH-CALCHBBNSA-N 1 3 368.550 4.164 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000655805228 1081211523 /nfs/dbraw/zinc/21/15/23/1081211523.db2.gz LGIALQXPFXKCMA-RPVQJOFSSA-N 1 3 363.299 4.061 20 0 FIADHO CC(C)n1ncc2cc(CN3CCC(CCC[NH+]4CCCC4)CC3)cnc21 ZINC000121777409 1081252756 /nfs/dbraw/zinc/25/27/56/1081252756.db2.gz CZLFIFKSBBOUFI-UHFFFAOYSA-N 1 3 369.557 4.100 20 0 FIADHO C[C@H](O)[C@@H]1CCCCN1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337093 1081470185 /nfs/dbraw/zinc/47/01/85/1081470185.db2.gz GZGCQRXXCLRXHP-OYDLWJJNSA-N 1 3 366.549 4.138 20 0 FIADHO C[C@H](O)[C@@H]1CCCCN1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337093 1081470186 /nfs/dbraw/zinc/47/01/86/1081470186.db2.gz GZGCQRXXCLRXHP-OYDLWJJNSA-N 1 3 366.549 4.138 20 0 FIADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000580095125 1081589288 /nfs/dbraw/zinc/58/92/88/1081589288.db2.gz IXNWSZLXPVXFGV-NJDAHSKKSA-N 1 3 358.913 4.457 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000683816221 1081619044 /nfs/dbraw/zinc/61/90/44/1081619044.db2.gz NBZSUICJKYXKQM-RRPUWOKSSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816221 1081619050 /nfs/dbraw/zinc/61/90/50/1081619050.db2.gz NBZSUICJKYXKQM-RRPUWOKSSA-N 1 3 352.522 4.264 20 0 FIADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)c2ccccc21 ZINC000580218711 1081757891 /nfs/dbraw/zinc/75/78/91/1081757891.db2.gz UOSXUTKFOHCQBA-VXKWHMMOSA-N 1 3 370.537 4.165 20 0 FIADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000580249319 1081780411 /nfs/dbraw/zinc/78/04/11/1081780411.db2.gz CICCOUJTKOCEOC-AUSIDOKSSA-N 1 3 350.506 4.053 20 0 FIADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249319 1081780415 /nfs/dbraw/zinc/78/04/15/1081780415.db2.gz CICCOUJTKOCEOC-AUSIDOKSSA-N 1 3 350.506 4.053 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000580249322 1081780646 /nfs/dbraw/zinc/78/06/46/1081780646.db2.gz CICCOUJTKOCEOC-XXBNENTESA-N 1 3 350.506 4.053 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249322 1081780651 /nfs/dbraw/zinc/78/06/51/1081780651.db2.gz CICCOUJTKOCEOC-XXBNENTESA-N 1 3 350.506 4.053 20 0 FIADHO CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312782669 1081841210 /nfs/dbraw/zinc/84/12/10/1081841210.db2.gz ASJLKICJBLSYOD-RXVVDRJESA-N 1 3 368.521 4.094 20 0 FIADHO FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCCN(C[C@@H]3CCCCO3)C2)C1 ZINC001279475223 1082255994 /nfs/dbraw/zinc/25/59/94/1082255994.db2.gz XUVPNVGURDMGSA-ROUUACIJSA-N 1 3 362.480 4.076 20 0 FIADHO FC(F)(F)CCC[N@H+]1CCC[C@]2(CCCN(C[C@@H]3CCCCO3)C2)C1 ZINC001279475223 1082255998 /nfs/dbraw/zinc/25/59/98/1082255998.db2.gz XUVPNVGURDMGSA-ROUUACIJSA-N 1 3 362.480 4.076 20 0 FIADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000090401647 1082766136 /nfs/dbraw/zinc/76/61/36/1082766136.db2.gz UXJXBVNWALDMND-GOSISDBHSA-N 1 3 372.582 4.013 20 0 FIADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(OC(C)C)CC2)CC1 ZINC000130243876 1082837818 /nfs/dbraw/zinc/83/78/18/1082837818.db2.gz PUUQMVASYRADAO-UHFFFAOYSA-N 1 3 373.585 4.044 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Br ZINC000430762024 1083155795 /nfs/dbraw/zinc/15/57/95/1083155795.db2.gz NNLDWTHMSOMSNN-KLHDSHLOSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Br ZINC000430762024 1083155799 /nfs/dbraw/zinc/15/57/99/1083155799.db2.gz NNLDWTHMSOMSNN-KLHDSHLOSA-N 1 3 367.306 4.051 20 0 FIADHO c1ccc(COc2cccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000090953705 1083219008 /nfs/dbraw/zinc/21/90/08/1083219008.db2.gz VZJVCWSIMCLKNG-FGZHOGPDSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2cccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000090953705 1083219011 /nfs/dbraw/zinc/21/90/11/1083219011.db2.gz VZJVCWSIMCLKNG-FGZHOGPDSA-N 1 3 350.506 4.025 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510754586 1083291227 /nfs/dbraw/zinc/29/12/27/1083291227.db2.gz ULFYJZKXKRRMJY-KDOFPFPSSA-N 1 3 351.332 4.146 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510754587 1083291684 /nfs/dbraw/zinc/29/16/84/1083291684.db2.gz ULFYJZKXKRRMJY-KSSFIOAISA-N 1 3 351.332 4.146 20 0 FIADHO CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658288435 1083394905 /nfs/dbraw/zinc/39/49/05/1083394905.db2.gz PHUYPAQOMKQNKC-NMNUPHIUSA-N 1 3 370.537 4.036 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320436 1083407823 /nfs/dbraw/zinc/40/78/23/1083407823.db2.gz YDENUTMZUMBHEX-NQIIRXRSSA-N 1 3 350.506 4.345 20 0 FIADHO Fc1ccc([C@@H](NCC2CC[NH+](CC3CC3)CC2)c2cccnc2)cc1 ZINC000658355146 1083425149 /nfs/dbraw/zinc/42/51/49/1083425149.db2.gz HTJOCHMOGJSMLW-JOCHJYFZSA-N 1 3 353.485 4.022 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CNCc2cccc(C[N@@H+](C)C(C)C)c2)o1 ZINC000065976547 1083904240 /nfs/dbraw/zinc/90/42/40/1083904240.db2.gz AZDDNBYNFMPHPL-UHFFFAOYSA-N 1 3 352.482 4.108 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CNCc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000065976547 1083904244 /nfs/dbraw/zinc/90/42/44/1083904244.db2.gz AZDDNBYNFMPHPL-UHFFFAOYSA-N 1 3 352.482 4.108 20 0 FIADHO Cc1cc(C[NH2+]C2CCN(C(C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000236601868 1083957781 /nfs/dbraw/zinc/95/77/81/1083957781.db2.gz UBYGDYHVEFLSFP-UHFFFAOYSA-N 1 3 367.537 4.240 20 0 FIADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1F ZINC000472459736 1083986079 /nfs/dbraw/zinc/98/60/79/1083986079.db2.gz PPQBHKCRUBIGKJ-FQEVSTJZSA-N 1 3 369.956 4.182 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000511003159 1084100169 /nfs/dbraw/zinc/10/01/69/1084100169.db2.gz VETZXPSGJUPPRW-QVKFZJNVSA-N 1 3 372.484 4.113 20 0 FIADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537969587 1084319396 /nfs/dbraw/zinc/31/93/96/1084319396.db2.gz GYNFNZWWFGOFQR-OAGGEKHMSA-N 1 3 358.979 4.202 20 0 FIADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157120403 1084322083 /nfs/dbraw/zinc/32/20/83/1084322083.db2.gz RDNIJXJVLJFBLM-MSOLQXFVSA-N 1 3 360.542 4.015 20 0 FIADHO Cn1ncc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1C1CC1 ZINC000892540440 1084654887 /nfs/dbraw/zinc/65/48/87/1084654887.db2.gz JVPDQMLEHRMCQP-UHFFFAOYSA-N 1 3 374.532 4.316 20 0 FIADHO CCn1cc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000892540679 1084660435 /nfs/dbraw/zinc/66/04/35/1084660435.db2.gz PHLYOKBLFYWTNB-UHFFFAOYSA-N 1 3 362.521 4.230 20 0 FIADHO CC[C@H](C)Oc1cc(C)ccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657392793 1084876584 /nfs/dbraw/zinc/87/65/84/1084876584.db2.gz CKOJGVSLXQVQAZ-KRWDZBQOSA-N 1 3 350.466 4.043 20 0 FIADHO C[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c2sccc21 ZINC000414296367 1084987962 /nfs/dbraw/zinc/98/79/62/1084987962.db2.gz FGLHNAXSFLKZCH-FXAWDEMLSA-N 1 3 370.562 4.303 20 0 FIADHO C[NH+](C)CCOc1ccccc1CN[C@H](c1cccnc1)C1CCCCC1 ZINC000652145191 1085266349 /nfs/dbraw/zinc/26/63/49/1085266349.db2.gz GQSUUUSZWVNNQH-QHCPKHFHSA-N 1 3 367.537 4.433 20 0 FIADHO Clc1cc(Cl)cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612241 1085688224 /nfs/dbraw/zinc/68/82/24/1085688224.db2.gz KCXZUGRJQVMDQU-UHFFFAOYSA-N 1 3 364.320 4.390 20 0 FIADHO c1nc(C2CCCC2)sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613222 1085691409 /nfs/dbraw/zinc/69/14/09/1085691409.db2.gz JAEAAOPPGNELMY-UHFFFAOYSA-N 1 3 370.566 4.198 20 0 FIADHO CC(C)[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000657612914 1085697611 /nfs/dbraw/zinc/69/76/11/1085697611.db2.gz FBYZDVVZDHAQRF-QHCPKHFHSA-N 1 3 351.538 4.323 20 0 FIADHO CCc1cc(N(c2cc(OC)cc3cccnc32)[C@@H](C)CCC[NH3+])ccn1 ZINC001167615173 1085713639 /nfs/dbraw/zinc/71/36/39/1085713639.db2.gz RGPMRCCMYHKKMU-INIZCTEOSA-N 1 3 364.493 4.466 20 0 FIADHO Cc1ccc2[nH]c(CN3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000473132649 1085732611 /nfs/dbraw/zinc/73/26/11/1085732611.db2.gz NWQPBJMXNWHYGM-HDICACEKSA-N 1 3 369.553 4.106 20 0 FIADHO Cc1ccc2[nH]c(CN3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000473132649 1085732618 /nfs/dbraw/zinc/73/26/18/1085732618.db2.gz NWQPBJMXNWHYGM-HDICACEKSA-N 1 3 369.553 4.106 20 0 FIADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OCc1ccccc1 ZINC000247979670 1086160700 /nfs/dbraw/zinc/16/07/00/1086160700.db2.gz MDSRSTPIVDHGHP-BBTUJRGHSA-N 1 3 368.521 4.093 20 0 FIADHO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295716 1086398703 /nfs/dbraw/zinc/39/87/03/1086398703.db2.gz HYEVVSGHLTXEBF-WMLDXEAASA-N 1 3 374.916 4.163 20 0 FIADHO C[C@@H](c1cccc(Cl)c1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327350 1086417948 /nfs/dbraw/zinc/41/79/48/1086417948.db2.gz OEZJSBINPPYJCC-HNNXBMFYSA-N 1 3 372.944 4.471 20 0 FIADHO C[C@H](c1ccc(Cl)cc1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328005 1086418927 /nfs/dbraw/zinc/41/89/27/1086418927.db2.gz XOPYXSLRPDQKTG-OAHLLOKOSA-N 1 3 372.944 4.471 20 0 FIADHO O=C(C[C@H]1NCc2ccccc21)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662417837 1086434468 /nfs/dbraw/zinc/43/44/68/1086434468.db2.gz WXWORUTXPLNGQD-JOCHJYFZSA-N 1 3 363.505 4.236 20 0 FIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469493 1086574892 /nfs/dbraw/zinc/57/48/92/1086574892.db2.gz PSTYYGZLQMYOMH-RYRKJORJSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469493 1086574919 /nfs/dbraw/zinc/57/49/19/1086574919.db2.gz PSTYYGZLQMYOMH-RYRKJORJSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469493 1086574930 /nfs/dbraw/zinc/57/49/30/1086574930.db2.gz PSTYYGZLQMYOMH-RYRKJORJSA-N 1 3 357.567 4.500 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413227 1086735965 /nfs/dbraw/zinc/73/59/65/1086735965.db2.gz LMBGGSLROUUIKV-BEFAXECRSA-N 1 3 370.459 4.247 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413227 1086735973 /nfs/dbraw/zinc/73/59/73/1086735973.db2.gz LMBGGSLROUUIKV-BEFAXECRSA-N 1 3 370.459 4.247 20 0 FIADHO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000432425783 1086752847 /nfs/dbraw/zinc/75/28/47/1086752847.db2.gz NPYAXAZCRNXDNI-ZWUBBELISA-N 1 3 370.581 4.470 20 0 FIADHO CCCOc1c(Cl)cc(CNCc2ccccc2C[NH2+]C)cc1OC ZINC000650718184 1086803050 /nfs/dbraw/zinc/80/30/50/1086803050.db2.gz BCBNQIAPPPJCIS-UHFFFAOYSA-N 1 3 362.901 4.147 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097864 1086905944 /nfs/dbraw/zinc/90/59/44/1086905944.db2.gz RCPLERQPWSQHOT-AZUAARDMSA-N 1 3 362.521 4.306 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C[C@@H]1C ZINC000448097864 1086905947 /nfs/dbraw/zinc/90/59/47/1086905947.db2.gz RCPLERQPWSQHOT-AZUAARDMSA-N 1 3 362.521 4.306 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1)CC1CC1 ZINC000536139440 1086982885 /nfs/dbraw/zinc/98/28/85/1086982885.db2.gz DXXOZBLMNHIHGF-UHFFFAOYSA-N 1 3 370.541 4.312 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1)CC1CC1 ZINC000536139440 1086982889 /nfs/dbraw/zinc/98/28/89/1086982889.db2.gz DXXOZBLMNHIHGF-UHFFFAOYSA-N 1 3 370.541 4.312 20 0 FIADHO CCOC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000657970521 1087683220 /nfs/dbraw/zinc/68/32/20/1087683220.db2.gz FNEOXJNFXCLEER-TTWXDQCFSA-N 1 3 356.554 4.224 20 0 FIADHO CC(C)n1cncc1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000424129720 1087800024 /nfs/dbraw/zinc/80/00/24/1087800024.db2.gz GODPPXKISHEFMW-UHFFFAOYSA-N 1 3 362.521 4.482 20 0 FIADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1Oc1cccnc1 ZINC000472596110 1087979738 /nfs/dbraw/zinc/97/97/38/1087979738.db2.gz KFFQRZZEXVBPKU-UHFFFAOYSA-N 1 3 351.494 4.243 20 0 FIADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1Oc1cccnc1 ZINC000472596110 1087979745 /nfs/dbraw/zinc/97/97/45/1087979745.db2.gz KFFQRZZEXVBPKU-UHFFFAOYSA-N 1 3 351.494 4.243 20 0 FIADHO FC(F)(F)C1=CCN(CCCC[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000536537529 1088094157 /nfs/dbraw/zinc/09/41/57/1088094157.db2.gz HSZMSPRLZXOPJH-UHFFFAOYSA-N 1 3 356.354 4.155 20 0 FIADHO FC(F)(F)C1=CCN(CCCC[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000536537529 1088094176 /nfs/dbraw/zinc/09/41/76/1088094176.db2.gz HSZMSPRLZXOPJH-UHFFFAOYSA-N 1 3 356.354 4.155 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000414808551 1088182763 /nfs/dbraw/zinc/18/27/63/1088182763.db2.gz KZNBQNIJXIKOQT-CQSZACIVSA-N 1 3 374.410 4.201 20 0 FIADHO Cc1nc(COc2ccc(CNCc3ccc([C@@H](C)[NH3+])cc3)cc2)cs1 ZINC000414812308 1088222440 /nfs/dbraw/zinc/22/24/40/1088222440.db2.gz QZXZZXGONDWKSW-OAHLLOKOSA-N 1 3 367.518 4.340 20 0 FIADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414812616 1088224678 /nfs/dbraw/zinc/22/46/78/1088224678.db2.gz XOFSAXOAQGSOKR-JXFKEZNVSA-N 1 3 371.912 4.199 20 0 FIADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414815567 1088244089 /nfs/dbraw/zinc/24/40/89/1088244089.db2.gz XQESNTDGUSOJER-KRWDZBQOSA-N 1 3 362.521 4.166 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415044161 1089080832 /nfs/dbraw/zinc/08/08/32/1089080832.db2.gz AKLMUWTZMMMUSC-NRFANRHFSA-N 1 3 368.912 4.404 20 0 FIADHO [NH3+]CCC[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1 ZINC000415053334 1089084465 /nfs/dbraw/zinc/08/44/65/1089084465.db2.gz MNNSALUTZKGAPT-KRWDZBQOSA-N 1 3 370.390 4.337 20 0 FIADHO CN(c1ccccc1)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415050570 1089088082 /nfs/dbraw/zinc/08/80/82/1089088082.db2.gz IMLZAHYTNSHQGV-JOCHJYFZSA-N 1 3 360.505 4.419 20 0 FIADHO COc1c(Br)cccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415044671 1089092099 /nfs/dbraw/zinc/09/20/99/1089092099.db2.gz AWAXILWYZZSCRJ-QGZVFWFLSA-N 1 3 363.299 4.028 20 0 FIADHO CSc1cccc([C@H](NCC2CC[NH2+]CC2)c2cc(F)ccc2F)c1 ZINC000415085601 1089145184 /nfs/dbraw/zinc/14/51/84/1089145184.db2.gz SVSPFRIFQWERFL-FQEVSTJZSA-N 1 3 362.489 4.365 20 0 FIADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccc4)cc3F)CC2)C1 ZINC000415122058 1089185275 /nfs/dbraw/zinc/18/52/75/1089185275.db2.gz JIQTXVFHZFMEBC-GMAHTHKFSA-N 1 3 368.496 4.211 20 0 FIADHO CCCN1CCN(c2ccccc2C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000584808175 1090909087 /nfs/dbraw/zinc/90/90/87/1090909087.db2.gz GDNXTJKPKGIZDR-UHFFFAOYSA-N 1 3 365.512 4.228 20 0 FIADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000584808175 1090909091 /nfs/dbraw/zinc/90/90/91/1090909091.db2.gz GDNXTJKPKGIZDR-UHFFFAOYSA-N 1 3 365.512 4.228 20 0 FIADHO CC[NH+]1CCC(N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000500115925 1091046744 /nfs/dbraw/zinc/04/67/44/1091046744.db2.gz VXWHWAUHSWCSIP-QHCPKHFHSA-N 1 3 368.521 4.062 20 0 FIADHO CN(C)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000511768949 1091660176 /nfs/dbraw/zinc/66/01/76/1091660176.db2.gz OQZZSCSLEKZXES-UHFFFAOYSA-N 1 3 365.521 4.377 20 0 FIADHO c1cc2cc(CC[NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)ccc2[nH]1 ZINC000442820260 1092788894 /nfs/dbraw/zinc/78/88/94/1092788894.db2.gz KFBODLBSQYMZQM-WPFOTENUSA-N 1 3 359.517 4.211 20 0 FIADHO COCCC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865498 1092812710 /nfs/dbraw/zinc/81/27/10/1092812710.db2.gz UCMCIGGDJAAAAT-NZQKXSOJSA-N 1 3 370.512 4.405 20 0 FIADHO COCCC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865498 1092812717 /nfs/dbraw/zinc/81/27/17/1092812717.db2.gz UCMCIGGDJAAAAT-NZQKXSOJSA-N 1 3 370.512 4.405 20 0 FIADHO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443062315 1092925163 /nfs/dbraw/zinc/92/51/63/1092925163.db2.gz UKORVFGXLCQIMZ-UGKGYDQZSA-N 1 3 365.521 4.044 20 0 FIADHO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168020207 1093202017 /nfs/dbraw/zinc/20/20/17/1093202017.db2.gz LJSFXNJUKPNKCN-CUDBPUKSSA-N 1 3 357.586 4.138 20 0 FIADHO CC(=O)c1ccc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168020469 1093212846 /nfs/dbraw/zinc/21/28/46/1093212846.db2.gz NCNSYFZXGOZKAS-QZTJIDSGSA-N 1 3 350.506 4.420 20 0 FIADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023505 1093361405 /nfs/dbraw/zinc/36/14/05/1093361405.db2.gz XCIGLIMQFQJBBJ-HATOLVCRSA-N 1 3 365.521 4.046 20 0 FIADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023505 1093361410 /nfs/dbraw/zinc/36/14/10/1093361410.db2.gz XCIGLIMQFQJBBJ-HATOLVCRSA-N 1 3 365.521 4.046 20 0 FIADHO CC(C)CN1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000163582367 1093683529 /nfs/dbraw/zinc/68/35/29/1093683529.db2.gz BSUYMNOVLQINKK-UHFFFAOYSA-N 1 3 363.977 4.014 20 0 FIADHO COCc1ccccc1/C=C(\C)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513337689 1094063959 /nfs/dbraw/zinc/06/39/59/1094063959.db2.gz JMDUIDIDWBMCCU-FGGAIWKESA-N 1 3 364.533 4.348 20 0 FIADHO COCc1ccccc1/C=C(\C)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513337689 1094063966 /nfs/dbraw/zinc/06/39/66/1094063966.db2.gz JMDUIDIDWBMCCU-FGGAIWKESA-N 1 3 364.533 4.348 20 0 FIADHO CCOC(=O)C[C@@H]1CCCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039987 1094483121 /nfs/dbraw/zinc/48/31/21/1094483121.db2.gz JJSUWNLTJYZJFD-ZJOUEHCJSA-N 1 3 372.553 4.093 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501137697 1094525120 /nfs/dbraw/zinc/52/51/20/1094525120.db2.gz WJDKYVMIUPTRIT-INIZCTEOSA-N 1 3 372.384 4.402 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501137697 1094525122 /nfs/dbraw/zinc/52/51/22/1094525122.db2.gz WJDKYVMIUPTRIT-INIZCTEOSA-N 1 3 372.384 4.402 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000474735206 1094549252 /nfs/dbraw/zinc/54/92/52/1094549252.db2.gz WTYKWXZPCSVLAR-URVUXULASA-N 1 3 366.549 4.341 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000501982844 1095035760 /nfs/dbraw/zinc/03/57/60/1095035760.db2.gz VYRUBZVJKBXKCM-VXNXHJTFSA-N 1 3 369.597 4.061 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000501982844 1095035769 /nfs/dbraw/zinc/03/57/69/1095035769.db2.gz VYRUBZVJKBXKCM-VXNXHJTFSA-N 1 3 369.597 4.061 20 0 FIADHO CCC1(CN[C@@H](C)c2cc(C)n(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000502427480 1095465474 /nfs/dbraw/zinc/46/54/74/1095465474.db2.gz IRGPAPHJVQNBGD-IBGZPJMESA-N 1 3 354.542 4.072 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccncc1Cl ZINC000421818874 1095951961 /nfs/dbraw/zinc/95/19/61/1095951961.db2.gz CXOZRMOZFBMPFL-ZACQAIPSSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccncc1Cl ZINC000421818874 1095951967 /nfs/dbraw/zinc/95/19/67/1095951967.db2.gz CXOZRMOZFBMPFL-ZACQAIPSSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818871 1095952584 /nfs/dbraw/zinc/95/25/84/1095952584.db2.gz CXOZRMOZFBMPFL-BBWFWOEESA-N 1 3 373.928 4.195 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818871 1095952589 /nfs/dbraw/zinc/95/25/89/1095952589.db2.gz CXOZRMOZFBMPFL-BBWFWOEESA-N 1 3 373.928 4.195 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccncc1Cl ZINC000421818871 1095952594 /nfs/dbraw/zinc/95/25/94/1095952594.db2.gz CXOZRMOZFBMPFL-BBWFWOEESA-N 1 3 373.928 4.195 20 0 FIADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074293 1096052577 /nfs/dbraw/zinc/05/25/77/1096052577.db2.gz QJOPOUFOBPDRHL-AZUAARDMSA-N 1 3 374.573 4.246 20 0 FIADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074293 1096052590 /nfs/dbraw/zinc/05/25/90/1096052590.db2.gz QJOPOUFOBPDRHL-AZUAARDMSA-N 1 3 374.573 4.246 20 0 FIADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503377167 1096378189 /nfs/dbraw/zinc/37/81/89/1096378189.db2.gz PILOTVOSGIAURN-GOSISDBHSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccc(Br)cc2)CC1 ZINC000503377167 1096378192 /nfs/dbraw/zinc/37/81/92/1096378192.db2.gz PILOTVOSGIAURN-GOSISDBHSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccc(Br)cc2)CC1 ZINC000503377167 1096378198 /nfs/dbraw/zinc/37/81/98/1096378198.db2.gz PILOTVOSGIAURN-GOSISDBHSA-N 1 3 351.332 4.113 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(COc2ccccc2)c1 ZINC000422730555 1096463859 /nfs/dbraw/zinc/46/38/59/1096463859.db2.gz KABKFCJFLZZLSU-KRWDZBQOSA-N 1 3 361.489 4.279 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000422730677 1096463921 /nfs/dbraw/zinc/46/39/21/1096463921.db2.gz FDXQWCQFSBSEOQ-HZPDHXFCSA-N 1 3 355.526 4.264 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000422730675 1096464213 /nfs/dbraw/zinc/46/42/13/1096464213.db2.gz FDXQWCQFSBSEOQ-CVEARBPZSA-N 1 3 355.526 4.264 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422725832 1096472799 /nfs/dbraw/zinc/47/27/99/1096472799.db2.gz YSINPVNBIHWADH-ZDUSSCGKSA-N 1 3 351.416 4.151 20 0 FIADHO c1sc2ccccc2c1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422751870 1096482889 /nfs/dbraw/zinc/48/28/89/1096482889.db2.gz DDNCJEOPQLJYFI-GHTZIAJQSA-N 1 3 350.487 4.247 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422781445 1096490308 /nfs/dbraw/zinc/49/03/08/1096490308.db2.gz KQBKOIGDLDABOZ-HLIPFELVSA-N 1 3 356.510 4.011 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422803133 1096494952 /nfs/dbraw/zinc/49/49/52/1096494952.db2.gz FOXDJZFJPUQDIL-NWDGAFQWSA-N 1 3 353.388 4.159 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422825975 1096500911 /nfs/dbraw/zinc/50/09/11/1096500911.db2.gz QKTSJILOYOXJMG-GFCCVEGCSA-N 1 3 352.309 4.439 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC000422862517 1096506878 /nfs/dbraw/zinc/50/68/78/1096506878.db2.gz PXDSEGPLFJWIJF-VXGBXAGGSA-N 1 3 352.309 4.437 20 0 FIADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422897363 1096518593 /nfs/dbraw/zinc/51/85/93/1096518593.db2.gz ZSRZYBZCWNYCRJ-LXBDKUERSA-N 1 3 366.505 4.380 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422900886 1096519327 /nfs/dbraw/zinc/51/93/27/1096519327.db2.gz KGCOVIXZNHIREX-QWHCGFSZSA-N 1 3 367.415 4.202 20 0 FIADHO c1c2ccccc2sc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422902787 1096520111 /nfs/dbraw/zinc/52/01/11/1096520111.db2.gz NOYUNSWYBKUXSW-WIYYLYMNSA-N 1 3 350.487 4.247 20 0 FIADHO Cc1sc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422925645 1096526043 /nfs/dbraw/zinc/52/60/43/1096526043.db2.gz BWXIMSLTHBKBPX-IPMKNSEASA-N 1 3 355.551 4.171 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422925095 1096526058 /nfs/dbraw/zinc/52/60/58/1096526058.db2.gz VBVHYYSJBCSRJU-IAGOWNOFSA-N 1 3 352.526 4.396 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422925095 1096526060 /nfs/dbraw/zinc/52/60/60/1096526060.db2.gz VBVHYYSJBCSRJU-IAGOWNOFSA-N 1 3 352.526 4.396 20 0 FIADHO Cc1sc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])nc1-c1ccccc1 ZINC000422927541 1096527513 /nfs/dbraw/zinc/52/75/13/1096527513.db2.gz GQWYIYNTFAWMLB-OXJNMPFZSA-N 1 3 365.546 4.209 20 0 FIADHO CCCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422934565 1096528824 /nfs/dbraw/zinc/52/88/24/1096528824.db2.gz CPBASQXEYVOMFR-CVEARBPZSA-N 1 3 371.525 4.448 20 0 FIADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000422934842 1096529096 /nfs/dbraw/zinc/52/90/96/1096529096.db2.gz KGOHPKOMXRNNIN-LPHOPBHVSA-N 1 3 367.320 4.426 20 0 FIADHO COC[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000422934843 1096529335 /nfs/dbraw/zinc/52/93/35/1096529335.db2.gz KGOHPKOMXRNNIN-QFBILLFUSA-N 1 3 367.320 4.426 20 0 FIADHO COc1cc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OCC(C)C ZINC000422944539 1096535493 /nfs/dbraw/zinc/53/54/93/1096535493.db2.gz SHEJUIZVAYDVHR-HOTGVXAUSA-N 1 3 371.525 4.304 20 0 FIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc(-c2cccnc2)c1 ZINC000423052644 1096565136 /nfs/dbraw/zinc/56/51/36/1096565136.db2.gz RAQXKMJRFXFQRT-ISKFKSNPSA-N 1 3 371.484 4.094 20 0 FIADHO COc1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1F ZINC000503860285 1096569680 /nfs/dbraw/zinc/56/96/80/1096569680.db2.gz UVBHDFZFYFUTOS-UAPYVXQJSA-N 1 3 360.517 4.467 20 0 FIADHO COc1ccc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1F ZINC000503860285 1096569687 /nfs/dbraw/zinc/56/96/87/1096569687.db2.gz UVBHDFZFYFUTOS-UAPYVXQJSA-N 1 3 360.517 4.467 20 0 FIADHO Fc1ccc2c(c1)[C@@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089887 1096570750 /nfs/dbraw/zinc/57/07/50/1096570750.db2.gz WETDCLKTZGYCIL-VWPQPMDRSA-N 1 3 352.453 4.049 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423142474 1096594949 /nfs/dbraw/zinc/59/49/49/1096594949.db2.gz VIIZDSXAZLAEQT-YEWWUXTCSA-N 1 3 374.326 4.208 20 0 FIADHO [NH3+]C1CCC(N[C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000423230808 1096624692 /nfs/dbraw/zinc/62/46/92/1096624692.db2.gz KFBZSAHXLNZXSA-KVULBXGLSA-N 1 3 367.262 4.130 20 0 FIADHO [NH3+]C1CCC(N[C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000423233439 1096625773 /nfs/dbraw/zinc/62/57/73/1096625773.db2.gz OIHCYZBLYSFARY-RJYAGPCLSA-N 1 3 359.311 4.398 20 0 FIADHO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414727759 1096629424 /nfs/dbraw/zinc/62/94/24/1096629424.db2.gz BOBFDISXDLHNGK-KBPBESRZSA-N 1 3 372.340 4.032 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292664 1096636260 /nfs/dbraw/zinc/63/62/60/1096636260.db2.gz NURYCSMUUFAIJF-IAGOWNOFSA-N 1 3 368.525 4.431 20 0 FIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000423507778 1096701873 /nfs/dbraw/zinc/70/18/73/1096701873.db2.gz QKOGOLFSIAQYQT-FOIQADDNSA-N 1 3 369.900 4.052 20 0 FIADHO CSc1cccc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2cc(F)ccc2F)c1 ZINC000423493362 1096706422 /nfs/dbraw/zinc/70/64/22/1096706422.db2.gz BHQHDDSIPYGTCE-OWZDWXTDSA-N 1 3 362.489 4.493 20 0 FIADHO COC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423518083 1096712207 /nfs/dbraw/zinc/71/22/07/1096712207.db2.gz ZFXKQCBTQSGIQX-RBUKOAKNSA-N 1 3 366.427 4.463 20 0 FIADHO COc1ccccc1[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1Cl ZINC000423554574 1096720919 /nfs/dbraw/zinc/72/09/19/1096720919.db2.gz WWOAWLSFXQQAEY-MPWIWIEXSA-N 1 3 370.924 4.416 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1c[nH]nc1-c1ccsc1 ZINC000436271959 1098898341 /nfs/dbraw/zinc/89/83/41/1098898341.db2.gz FMUXGYUUIISGSQ-UHFFFAOYSA-N 1 3 354.523 4.268 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1c[nH]nc1-c1ccsc1 ZINC000436271959 1098898354 /nfs/dbraw/zinc/89/83/54/1098898354.db2.gz FMUXGYUUIISGSQ-UHFFFAOYSA-N 1 3 354.523 4.268 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309928 1098944369 /nfs/dbraw/zinc/94/43/69/1098944369.db2.gz GTOKMHSWBWKSFH-HIFRSBDPSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309928 1098944372 /nfs/dbraw/zinc/94/43/72/1098944372.db2.gz GTOKMHSWBWKSFH-HIFRSBDPSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309927 1098944982 /nfs/dbraw/zinc/94/49/82/1098944982.db2.gz GTOKMHSWBWKSFH-DZGCQCFKSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000533309927 1098944984 /nfs/dbraw/zinc/94/49/84/1098944984.db2.gz GTOKMHSWBWKSFH-DZGCQCFKSA-N 1 3 372.340 4.127 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(Cl)c1 ZINC000162569264 1099864114 /nfs/dbraw/zinc/86/41/14/1099864114.db2.gz QKKMTWJPAHHBLL-AWEZNQCLSA-N 1 3 350.865 4.270 20 0 FIADHO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000508713200 1099903978 /nfs/dbraw/zinc/90/39/78/1099903978.db2.gz SLLUZDUZQICUJO-NZQKXSOJSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000508713200 1099903981 /nfs/dbraw/zinc/90/39/81/1099903981.db2.gz SLLUZDUZQICUJO-NZQKXSOJSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508713200 1099903989 /nfs/dbraw/zinc/90/39/89/1099903989.db2.gz SLLUZDUZQICUJO-NZQKXSOJSA-N 1 3 374.532 4.181 20 0 FIADHO COc1ccc([C@@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000237479347 1099916835 /nfs/dbraw/zinc/91/68/35/1099916835.db2.gz FAFQFGRDCIEXCF-QGZVFWFLSA-N 1 3 354.494 4.019 20 0 FIADHO CC1(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[NH2+]CC1 ZINC000414912103 1100130046 /nfs/dbraw/zinc/13/00/46/1100130046.db2.gz UXTHXFAEOGDUSU-UHFFFAOYSA-N 1 3 369.456 4.308 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659683 1100130880 /nfs/dbraw/zinc/13/08/80/1100130880.db2.gz RLSRDSMMULFLMU-ICSRJNTNSA-N 1 3 353.510 4.487 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659683 1100130887 /nfs/dbraw/zinc/13/08/87/1100130887.db2.gz RLSRDSMMULFLMU-ICSRJNTNSA-N 1 3 353.510 4.487 20 0 FIADHO C[C@H]1C[C@@H]1c1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665608 1100139490 /nfs/dbraw/zinc/13/94/90/1100139490.db2.gz UBTGQVCAOVYEQB-AVRDEDQJSA-N 1 3 373.585 4.031 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000536847764 1100359141 /nfs/dbraw/zinc/35/91/41/1100359141.db2.gz WSZGXAUKEDUZDY-WMZHIEFXSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000536847764 1100359153 /nfs/dbraw/zinc/35/91/53/1100359153.db2.gz WSZGXAUKEDUZDY-WMZHIEFXSA-N 1 3 374.532 4.181 20 0 FIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536856338 1100370898 /nfs/dbraw/zinc/37/08/98/1100370898.db2.gz FBMUOYAUHUYHBN-BRWVUGGUSA-N 1 3 372.475 4.115 20 0 FIADHO Cc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1Oc1cccnc1 ZINC000506354982 1100905697 /nfs/dbraw/zinc/90/56/97/1100905697.db2.gz FQTDGRLBDBPBOQ-UHFFFAOYSA-N 1 3 353.510 4.487 20 0 FIADHO Cc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1Oc1cccnc1 ZINC000506354982 1100905698 /nfs/dbraw/zinc/90/56/98/1100905698.db2.gz FQTDGRLBDBPBOQ-UHFFFAOYSA-N 1 3 353.510 4.487 20 0 FIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000536962033 1101358266 /nfs/dbraw/zinc/35/82/66/1101358266.db2.gz YEDWOPWMMICEHT-SFHVURJKSA-N 1 3 351.332 4.146 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013842 1101394215 /nfs/dbraw/zinc/39/42/15/1101394215.db2.gz SKVHNSHPAWIEIK-BDTNDASRSA-N 1 3 360.517 4.024 20 0 FIADHO COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414999127 1101472398 /nfs/dbraw/zinc/47/23/98/1101472398.db2.gz IWADBKNEIRPRCX-KPDCDPCYSA-N 1 3 370.512 4.138 20 0 FIADHO CCCN1CCC([NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000537107473 1101473341 /nfs/dbraw/zinc/47/33/41/1101473341.db2.gz CJDHDRPBBGOGQI-NRFANRHFSA-N 1 3 356.485 4.410 20 0 FIADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001168165823 1101763557 /nfs/dbraw/zinc/76/35/57/1101763557.db2.gz JMRNVLXBZUNIMR-QGZVFWFLSA-N 1 3 357.929 4.168 20 0 FIADHO CCN1CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000105350986 1102209671 /nfs/dbraw/zinc/20/96/71/1102209671.db2.gz KZOYSZIGKOYZFU-UHFFFAOYSA-N 1 3 372.557 4.011 20 0 FIADHO CCN1CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000105350986 1102209682 /nfs/dbraw/zinc/20/96/82/1102209682.db2.gz KZOYSZIGKOYZFU-UHFFFAOYSA-N 1 3 372.557 4.011 20 0 FIADHO C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000648506065 1102296465 /nfs/dbraw/zinc/29/64/65/1102296465.db2.gz QJDFWGKNZYGZFL-RDJZCZTQSA-N 1 3 369.896 4.481 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000121238725 1102354447 /nfs/dbraw/zinc/35/44/47/1102354447.db2.gz JWXOKLWDAQWERD-OALUTQOASA-N 1 3 352.522 4.262 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(CO)c1 ZINC000121238725 1102354452 /nfs/dbraw/zinc/35/44/52/1102354452.db2.gz JWXOKLWDAQWERD-OALUTQOASA-N 1 3 352.522 4.262 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000532507027 1102434841 /nfs/dbraw/zinc/43/48/41/1102434841.db2.gz LAKPLADTRYVWQC-WMZOPIPTSA-N 1 3 355.551 4.427 20 0 FIADHO Cc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000532507027 1102434844 /nfs/dbraw/zinc/43/48/44/1102434844.db2.gz LAKPLADTRYVWQC-WMZOPIPTSA-N 1 3 355.551 4.427 20 0 FIADHO CC1CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001168214668 1102491908 /nfs/dbraw/zinc/49/19/08/1102491908.db2.gz CUCGQOUXJHGXAA-SSXYFDDISA-N 1 3 360.586 4.026 20 0 FIADHO CC1CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001168214668 1102491911 /nfs/dbraw/zinc/49/19/11/1102491911.db2.gz CUCGQOUXJHGXAA-SSXYFDDISA-N 1 3 360.586 4.026 20 0 FIADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H]1C ZINC000550882053 1102653456 /nfs/dbraw/zinc/65/34/56/1102653456.db2.gz HPYKZMUOLWBWHY-PRTQVNTJSA-N 1 3 370.581 4.330 20 0 FIADHO CCCN1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000538197879 1104032920 /nfs/dbraw/zinc/03/29/20/1104032920.db2.gz SCXPUKDQGPVZFV-NRFANRHFSA-N 1 3 357.929 4.483 20 0 FIADHO Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394959 1104329125 /nfs/dbraw/zinc/32/91/25/1104329125.db2.gz QFBIAHQGEOXWAT-HRAATJIYSA-N 1 3 371.912 4.444 20 0 FIADHO Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 ZINC000441394959 1104329138 /nfs/dbraw/zinc/32/91/38/1104329138.db2.gz QFBIAHQGEOXWAT-HRAATJIYSA-N 1 3 371.912 4.444 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2COc3ccccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005191 1105076103 /nfs/dbraw/zinc/07/61/03/1105076103.db2.gz HUDSRRRUDKSMTR-GMQQQROESA-N 1 3 350.506 4.021 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2COc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005191 1105076108 /nfs/dbraw/zinc/07/61/08/1105076108.db2.gz HUDSRRRUDKSMTR-GMQQQROESA-N 1 3 350.506 4.021 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404191 1105087316 /nfs/dbraw/zinc/08/73/16/1105087316.db2.gz VEFFDCGSLILGOV-ICSRJNTNSA-N 1 3 350.506 4.401 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152426761 1105174067 /nfs/dbraw/zinc/17/40/67/1105174067.db2.gz CRSFCTZBWZCCCZ-KDOFPFPSSA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152426761 1105174070 /nfs/dbraw/zinc/17/40/70/1105174070.db2.gz CRSFCTZBWZCCCZ-KDOFPFPSSA-N 1 3 371.525 4.401 20 0 FIADHO CC(=O)Nc1cccc(C[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168010725 1105302468 /nfs/dbraw/zinc/30/24/68/1105302468.db2.gz KTTOWCAFOUVVKR-ROUUACIJSA-N 1 3 365.521 4.176 20 0 FIADHO CCCC[N@H+](C)CC1CCN([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000520793179 1105357928 /nfs/dbraw/zinc/35/79/28/1105357928.db2.gz QXRMXHLQMQCING-QFIPXVFZSA-N 1 3 373.585 4.040 20 0 FIADHO CCCC[N@@H+](C)CC1CCN([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000520793179 1105357935 /nfs/dbraw/zinc/35/79/35/1105357935.db2.gz QXRMXHLQMQCING-QFIPXVFZSA-N 1 3 373.585 4.040 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531688705 1108056062 /nfs/dbraw/zinc/05/60/62/1108056062.db2.gz ALAPZIXHCZCULP-KRWDZBQOSA-N 1 3 363.505 4.018 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531690286 1108057466 /nfs/dbraw/zinc/05/74/66/1108057466.db2.gz LPUIKUYOKQICQG-QGZVFWFLSA-N 1 3 365.521 4.264 20 0 FIADHO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000531707111 1108086146 /nfs/dbraw/zinc/08/61/46/1108086146.db2.gz ZPJDGOIDLNDVSM-HBUWYVDXSA-N 1 3 358.448 4.311 20 0 FIADHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453127594 1108205411 /nfs/dbraw/zinc/20/54/11/1108205411.db2.gz PPGBOQLOEPGLFB-DNVJHFABSA-N 1 3 366.553 4.005 20 0 FIADHO FCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000453316456 1108405732 /nfs/dbraw/zinc/40/57/32/1108405732.db2.gz WVOFXCWRWJQXOW-BHIFYINESA-N 1 3 374.544 4.033 20 0 FIADHO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835791 1109356754 /nfs/dbraw/zinc/35/67/54/1109356754.db2.gz QLHSPOKCKRRKEO-VGSWGCGISA-N 1 3 366.530 4.189 20 0 FIADHO C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835791 1109356759 /nfs/dbraw/zinc/35/67/59/1109356759.db2.gz QLHSPOKCKRRKEO-VGSWGCGISA-N 1 3 366.530 4.189 20 0 FIADHO CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000447546304 1109575001 /nfs/dbraw/zinc/57/50/01/1109575001.db2.gz USWDOJDHIOLLCA-YUMYIRISSA-N 1 3 369.578 4.136 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343236 1110034913 /nfs/dbraw/zinc/03/49/13/1110034913.db2.gz IXGLJMWFHLZNFB-DHIUTWEWSA-N 1 3 370.581 4.474 20 0 FIADHO C[N@@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000538730473 1111267101 /nfs/dbraw/zinc/26/71/01/1111267101.db2.gz NTZHGXOZZIMNMR-HXUWFJFHSA-N 1 3 374.475 4.284 20 0 FIADHO C[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000538730473 1111267103 /nfs/dbraw/zinc/26/71/03/1111267103.db2.gz NTZHGXOZZIMNMR-HXUWFJFHSA-N 1 3 374.475 4.284 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760857 1111290056 /nfs/dbraw/zinc/29/00/56/1111290056.db2.gz PYLPLXBOFURGAH-MSOLQXFVSA-N 1 3 357.567 4.377 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760857 1111290059 /nfs/dbraw/zinc/29/00/59/1111290059.db2.gz PYLPLXBOFURGAH-MSOLQXFVSA-N 1 3 357.567 4.377 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760859 1111290113 /nfs/dbraw/zinc/29/01/13/1111290113.db2.gz PYLPLXBOFURGAH-ROUUACIJSA-N 1 3 357.567 4.377 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760859 1111290115 /nfs/dbraw/zinc/29/01/15/1111290115.db2.gz PYLPLXBOFURGAH-ROUUACIJSA-N 1 3 357.567 4.377 20 0 FIADHO COc1ccc([C@H](CCC(C)C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000539062219 1111408125 /nfs/dbraw/zinc/40/81/25/1111408125.db2.gz UGNXNVWVANXOIX-ZRBLBEILSA-N 1 3 374.569 4.140 20 0 FIADHO Clc1ccc2sc(CC[NH2+]C3CCN(C4CCCC4)CC3)nc2c1 ZINC000539122631 1111442247 /nfs/dbraw/zinc/44/22/47/1111442247.db2.gz MBYUCNOWXVQYEJ-UHFFFAOYSA-N 1 3 363.958 4.489 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1[C@@H]3c4ccccc4C[C@H]13)c1ccccc1O2 ZINC000539392824 1111540516 /nfs/dbraw/zinc/54/05/16/1111540516.db2.gz GEYJKCURVHQCEW-PIATZUFCSA-N 1 3 374.528 4.150 20 0 FIADHO CC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000552062516 1111562917 /nfs/dbraw/zinc/56/29/17/1111562917.db2.gz ZZXNOASOXDEVDS-BHIFYINESA-N 1 3 356.554 4.084 20 0 FIADHO C[C@H](O)[C@@](C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)Cc1ccccc1 ZINC000477854485 1111578704 /nfs/dbraw/zinc/57/87/04/1111578704.db2.gz BKXPEKXQYMKZRY-CDPNLFKUSA-N 1 3 372.597 4.249 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479338329 1111999542 /nfs/dbraw/zinc/99/95/42/1111999542.db2.gz VUWSXEBYVIQHJT-QFIPXVFZSA-N 1 3 360.505 4.101 20 0 FIADHO Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000479368080 1112001778 /nfs/dbraw/zinc/00/17/78/1112001778.db2.gz XSPXOXKUZUCUEO-SGTLLEGYSA-N 1 3 367.306 4.113 20 0 FIADHO CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367204 1112001982 /nfs/dbraw/zinc/00/19/82/1112001982.db2.gz WEEBUOHCQHLBOQ-FZKQIMNGSA-N 1 3 363.343 4.245 20 0 FIADHO CC1(C)C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000479367204 1112001986 /nfs/dbraw/zinc/00/19/86/1112001986.db2.gz WEEBUOHCQHLBOQ-FZKQIMNGSA-N 1 3 363.343 4.245 20 0 FIADHO Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000479368081 1112002006 /nfs/dbraw/zinc/00/20/06/1112002006.db2.gz XSPXOXKUZUCUEO-XIKOKIGWSA-N 1 3 367.306 4.113 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CCCC2)CCC3)cc1 ZINC000480142234 1112299394 /nfs/dbraw/zinc/29/93/94/1112299394.db2.gz AYXYDQXMNUOFNI-KRWDZBQOSA-N 1 3 359.514 4.402 20 0 FIADHO COc1cc([C@H](C)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369450 1112320213 /nfs/dbraw/zinc/32/02/13/1112320213.db2.gz GYHBPDIQENWHAC-AOIWGVFYSA-N 1 3 371.500 4.181 20 0 FIADHO COc1cc([C@H](C)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369450 1112320218 /nfs/dbraw/zinc/32/02/18/1112320218.db2.gz GYHBPDIQENWHAC-AOIWGVFYSA-N 1 3 371.500 4.181 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000480257710 1112347706 /nfs/dbraw/zinc/34/77/06/1112347706.db2.gz CFAYFLRGYKVHNR-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000480257710 1112347712 /nfs/dbraw/zinc/34/77/12/1112347712.db2.gz CFAYFLRGYKVHNR-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(C)sc3C)cc2)CC1 ZINC000480735475 1112570128 /nfs/dbraw/zinc/57/01/28/1112570128.db2.gz GEDABCMMYOQMJS-GOSISDBHSA-N 1 3 371.594 4.353 20 0 FIADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccccc1 ZINC000480736898 1112570170 /nfs/dbraw/zinc/57/01/70/1112570170.db2.gz HWRHJOQGTBCJNX-QHCPKHFHSA-N 1 3 351.538 4.065 20 0 FIADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000480771056 1112590614 /nfs/dbraw/zinc/59/06/14/1112590614.db2.gz ABKYUNRNPGJJHZ-GOSISDBHSA-N 1 3 373.566 4.054 20 0 FIADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000480771056 1112590616 /nfs/dbraw/zinc/59/06/16/1112590616.db2.gz ABKYUNRNPGJJHZ-GOSISDBHSA-N 1 3 373.566 4.054 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc2ccccc21 ZINC000480892268 1112646680 /nfs/dbraw/zinc/64/66/80/1112646680.db2.gz YLPHUQISKUXIQZ-FQEVSTJZSA-N 1 3 373.544 4.438 20 0 FIADHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308038 1112881762 /nfs/dbraw/zinc/88/17/62/1112881762.db2.gz AFOPMMRLTRKIRB-GCJKJVERSA-N 1 3 356.485 4.050 20 0 FIADHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308038 1112881770 /nfs/dbraw/zinc/88/17/70/1112881770.db2.gz AFOPMMRLTRKIRB-GCJKJVERSA-N 1 3 356.485 4.050 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308038 1112881776 /nfs/dbraw/zinc/88/17/76/1112881776.db2.gz AFOPMMRLTRKIRB-GCJKJVERSA-N 1 3 356.485 4.050 20 0 FIADHO C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000481738611 1113062889 /nfs/dbraw/zinc/06/28/89/1113062889.db2.gz FABDBCZICIWHNH-OAHLLOKOSA-N 1 3 366.427 4.497 20 0 FIADHO c1cncc([C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CCC2)c1 ZINC000481929952 1113138138 /nfs/dbraw/zinc/13/81/38/1113138138.db2.gz YCGDJJSHFPGZSB-QHCPKHFHSA-N 1 3 365.521 4.187 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000482343614 1113229795 /nfs/dbraw/zinc/22/97/95/1113229795.db2.gz LIAWHCXJUMKDQX-KDOFPFPSSA-N 1 3 351.332 4.146 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000482444770 1113257805 /nfs/dbraw/zinc/25/78/05/1113257805.db2.gz AMKAWVRSPHBYLK-FQEVSTJZSA-N 1 3 356.510 4.413 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000482442952 1113258213 /nfs/dbraw/zinc/25/82/13/1113258213.db2.gz ZYHSOWFROUIPPV-RDPSFJRHSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442952 1113258218 /nfs/dbraw/zinc/25/82/18/1113258218.db2.gz ZYHSOWFROUIPPV-RDPSFJRHSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CCC2 ZINC000482442952 1113258222 /nfs/dbraw/zinc/25/82/22/1113258222.db2.gz ZYHSOWFROUIPPV-RDPSFJRHSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CC[C@H]2NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000483159843 1113451346 /nfs/dbraw/zinc/45/13/46/1113451346.db2.gz SNJJFVFKFIFQJB-HTAPYJJXSA-N 1 3 350.506 4.498 20 0 FIADHO CCOc1cc2nccc(N3CC[C@H]([NH+]4CCCCC4)C3)c2cc1OCC ZINC000488243315 1113887407 /nfs/dbraw/zinc/88/74/07/1113887407.db2.gz WHESPAUXXFXYHB-KRWDZBQOSA-N 1 3 369.509 4.097 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490110502 1114215797 /nfs/dbraw/zinc/21/57/97/1114215797.db2.gz BVCSBULQLSMXFQ-DEOSSOPVSA-N 1 3 365.565 4.010 20 0 FIADHO C[C@H]1CN(Cc2ccc(C3CCCCC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490961374 1114355992 /nfs/dbraw/zinc/35/59/92/1114355992.db2.gz BRHDVZLQKYXIAV-RDPSFJRHSA-N 1 3 369.597 4.192 20 0 FIADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(SC)s2)CC1 ZINC000573615956 1115147450 /nfs/dbraw/zinc/14/74/50/1115147450.db2.gz HJWSHUVPVLTMBQ-UHFFFAOYSA-N 1 3 356.601 4.040 20 0 FIADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(SC)s2)CC1 ZINC000573615956 1115147454 /nfs/dbraw/zinc/14/74/54/1115147454.db2.gz HJWSHUVPVLTMBQ-UHFFFAOYSA-N 1 3 356.601 4.040 20 0 FIADHO c1cn(-c2cccc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)cn1 ZINC000574633461 1115430561 /nfs/dbraw/zinc/43/05/61/1115430561.db2.gz UJYRLWGBMOBXHY-ULPXVVAUSA-N 1 3 372.516 4.158 20 0 FIADHO c1cn(-c2cccc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)cn1 ZINC000574633461 1115430564 /nfs/dbraw/zinc/43/05/64/1115430564.db2.gz UJYRLWGBMOBXHY-ULPXVVAUSA-N 1 3 372.516 4.158 20 0 FIADHO CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000574704942 1115440368 /nfs/dbraw/zinc/44/03/68/1115440368.db2.gz SUAQXTKCNWQDAD-LJQANCHMSA-N 1 3 374.569 4.142 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594494897 1115449851 /nfs/dbraw/zinc/44/98/51/1115449851.db2.gz KIULFKFVFQTXPO-QFIPXVFZSA-N 1 3 366.505 4.092 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594494897 1115449853 /nfs/dbraw/zinc/44/98/53/1115449853.db2.gz KIULFKFVFQTXPO-QFIPXVFZSA-N 1 3 366.505 4.092 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594494896 1115450351 /nfs/dbraw/zinc/45/03/51/1115450351.db2.gz KIULFKFVFQTXPO-JOCHJYFZSA-N 1 3 366.505 4.092 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(C(=O)OC)cc32)c1 ZINC000594494896 1115450353 /nfs/dbraw/zinc/45/03/53/1115450353.db2.gz KIULFKFVFQTXPO-JOCHJYFZSA-N 1 3 366.505 4.092 20 0 FIADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000669703968 1115831420 /nfs/dbraw/zinc/83/14/20/1115831420.db2.gz ZUTIUHNIKAXKHO-BVAFDOMYSA-N 1 3 356.554 4.082 20 0 FIADHO Brc1ccc(/C=C\CCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903168 1115981525 /nfs/dbraw/zinc/98/15/25/1115981525.db2.gz KXPMIGVTJNPVSV-OLNMTYFRSA-N 1 3 363.343 4.270 20 0 FIADHO Brc1ccc(/C=C\CCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903170 1115981632 /nfs/dbraw/zinc/98/16/32/1115981632.db2.gz KXPMIGVTJNPVSV-ZRBMMALYSA-N 1 3 363.343 4.270 20 0 FIADHO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539862318 1116392428 /nfs/dbraw/zinc/39/24/28/1116392428.db2.gz MJHZJFPPCYDDKU-FQEVSTJZSA-N 1 3 368.521 4.048 20 0 FIADHO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539862318 1116392431 /nfs/dbraw/zinc/39/24/31/1116392431.db2.gz MJHZJFPPCYDDKU-FQEVSTJZSA-N 1 3 368.521 4.048 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000462848255 1117819089 /nfs/dbraw/zinc/81/90/89/1117819089.db2.gz OMYZPCTXEUQOQE-OTWHNJEPSA-N 1 3 362.558 4.404 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000540170945 1117912117 /nfs/dbraw/zinc/91/21/17/1117912117.db2.gz NGLJQSCSCOHKIM-BZUAXINKSA-N 1 3 374.447 4.125 20 0 FIADHO Cc1cc([C@@H](NCc2ccccc2OCC[NH+](C)C)C2CC2)ccc1F ZINC000540299887 1117975324 /nfs/dbraw/zinc/97/53/24/1117975324.db2.gz UNPKEIOAMOEXAE-QFIPXVFZSA-N 1 3 356.485 4.315 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140394 1117987146 /nfs/dbraw/zinc/98/71/46/1117987146.db2.gz GYDWOYMLYLLRTL-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140394 1117987150 /nfs/dbraw/zinc/98/71/50/1117987150.db2.gz GYDWOYMLYLLRTL-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000540335743 1117989933 /nfs/dbraw/zinc/98/99/33/1117989933.db2.gz DSCFCYIDDQVTDD-AWEZNQCLSA-N 1 3 358.357 4.012 20 0 FIADHO CC(C)(C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000463250511 1118054312 /nfs/dbraw/zinc/05/43/12/1118054312.db2.gz MOQNCPNNDYLDKS-UHFFFAOYSA-N 1 3 363.977 4.016 20 0 FIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3C(C)(C)C)CC2)CC1 ZINC000913741942 1118985642 /nfs/dbraw/zinc/98/56/42/1118985642.db2.gz XDEOHRPQKBFLQW-UHFFFAOYSA-N 1 3 371.569 4.119 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173331168 1119033492 /nfs/dbraw/zinc/03/34/92/1119033492.db2.gz LOCSCLMQEXGKRP-KRWDZBQOSA-N 1 3 356.510 4.396 20 0 FIADHO C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178281703 1119382104 /nfs/dbraw/zinc/38/21/04/1119382104.db2.gz MUEGPOZSDBQLTH-HNNXBMFYSA-N 1 3 364.436 4.079 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311890647 1119393465 /nfs/dbraw/zinc/39/34/65/1119393465.db2.gz DEAUDQNNPMULBG-WMZHIEFXSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890647 1119393468 /nfs/dbraw/zinc/39/34/68/1119393468.db2.gz DEAUDQNNPMULBG-WMZHIEFXSA-N 1 3 350.506 4.184 20 0 FIADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000312112556 1119403058 /nfs/dbraw/zinc/40/30/58/1119403058.db2.gz NBTSMUCCBCCROV-KJJMTIBFSA-N 1 3 356.554 4.082 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000494074551 1119537349 /nfs/dbraw/zinc/53/73/49/1119537349.db2.gz GNYYLKNNQKVUFR-KMDXXIMOSA-N 1 3 364.533 4.052 20 0 FIADHO CCCc1csc(CNCC2CC[NH+](Cc3ccc(OC)cc3)CC2)n1 ZINC000494307928 1119824994 /nfs/dbraw/zinc/82/49/94/1119824994.db2.gz HANLZEBCCPVJOJ-UHFFFAOYSA-N 1 3 373.566 4.106 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000189453235 1119898226 /nfs/dbraw/zinc/89/82/26/1119898226.db2.gz BEBPRBNURUORCJ-IXDOHACOSA-N 1 3 368.352 4.179 20 0 FIADHO Clc1ccc(N2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000189453235 1119898234 /nfs/dbraw/zinc/89/82/34/1119898234.db2.gz BEBPRBNURUORCJ-IXDOHACOSA-N 1 3 368.352 4.179 20 0 FIADHO CC(C)N(C)c1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000190707197 1119945467 /nfs/dbraw/zinc/94/54/67/1119945467.db2.gz QFEPLHCAHDSWGS-UHFFFAOYSA-N 1 3 366.553 4.202 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(N(C)C(C)C)nc1 ZINC000190706570 1119945606 /nfs/dbraw/zinc/94/56/06/1119945606.db2.gz NIHCOZAZEKTFPW-UHFFFAOYSA-N 1 3 354.542 4.058 20 0 FIADHO C[C@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001168467180 1119996742 /nfs/dbraw/zinc/99/67/42/1119996742.db2.gz GRCRQBAFXJOISV-QGZVFWFLSA-N 1 3 358.476 4.398 20 0 FIADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727627 1120078460 /nfs/dbraw/zinc/07/84/60/1120078460.db2.gz JZJUYAZFAHHKKK-PKTZIBPZSA-N 1 3 357.586 4.061 20 0 FIADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727627 1120078468 /nfs/dbraw/zinc/07/84/68/1120078468.db2.gz JZJUYAZFAHHKKK-PKTZIBPZSA-N 1 3 357.586 4.061 20 0 FIADHO CCn1nc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000397976429 1121329380 /nfs/dbraw/zinc/32/93/80/1121329380.db2.gz KRCYHZZZQAQQDU-WIYYLYMNSA-N 1 3 362.521 4.056 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)C)cc3)cc2)CC1 ZINC000061070178 1121506820 /nfs/dbraw/zinc/50/68/20/1121506820.db2.gz WNANBAVYRKRGBE-UHFFFAOYSA-N 1 3 365.565 4.237 20 0 FIADHO COc1ccc([C@@H]2C[C@@H](N[C@H](CC[NH+](C)C)c3ccccc3)CCO2)cc1 ZINC001168585275 1121518918 /nfs/dbraw/zinc/51/89/18/1121518918.db2.gz GYWROEFWBTWCPT-WWNPGLIZSA-N 1 3 368.521 4.198 20 0 FIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Br)s1 ZINC000123617715 1121619344 /nfs/dbraw/zinc/61/93/44/1121619344.db2.gz UVGFHLXPESGIBS-LBPRGKRZSA-N 1 3 353.329 4.423 20 0 FIADHO CCOc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1OCC ZINC000123721230 1121625610 /nfs/dbraw/zinc/62/56/10/1121625610.db2.gz ILAUSJWVWVIDKE-KRWDZBQOSA-N 1 3 356.510 4.396 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000123912926 1121645387 /nfs/dbraw/zinc/64/53/87/1121645387.db2.gz LQMVQLKVMOVEMD-INIZCTEOSA-N 1 3 365.521 4.219 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000123912926 1121645388 /nfs/dbraw/zinc/64/53/88/1121645388.db2.gz LQMVQLKVMOVEMD-INIZCTEOSA-N 1 3 365.521 4.219 20 0 FIADHO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000671754081 1121753564 /nfs/dbraw/zinc/75/35/64/1121753564.db2.gz QLGLYCARKRWYNY-RBZQAINGSA-N 1 3 363.549 4.213 20 0 FIADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1Br ZINC000125724706 1121817494 /nfs/dbraw/zinc/81/74/94/1121817494.db2.gz JUKPZXDQHUNNHO-GJZGRUSLSA-N 1 3 369.347 4.229 20 0 FIADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCO2 ZINC000126709872 1121978313 /nfs/dbraw/zinc/97/83/13/1121978313.db2.gz HFOBAWUCHLIZMF-AVRDEDQJSA-N 1 3 372.553 4.114 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008898 1121997628 /nfs/dbraw/zinc/99/76/28/1121997628.db2.gz USPYFVWZCSGBGR-IERDGZPVSA-N 1 3 374.475 4.020 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC[C@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008898 1121997632 /nfs/dbraw/zinc/99/76/32/1121997632.db2.gz USPYFVWZCSGBGR-IERDGZPVSA-N 1 3 374.475 4.020 20 0 FIADHO COc1ccc([C@H]2C[C@H]([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCO2)cc1 ZINC001168611648 1122009174 /nfs/dbraw/zinc/00/91/74/1122009174.db2.gz WJOYKVYUNLVRHQ-YLJYHZDGSA-N 1 3 360.542 4.156 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898222 1122024777 /nfs/dbraw/zinc/02/47/77/1122024777.db2.gz QPNGAUWOCLDJJS-HZPDHXFCSA-N 1 3 358.507 4.040 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898222 1122024783 /nfs/dbraw/zinc/02/47/83/1122024783.db2.gz QPNGAUWOCLDJJS-HZPDHXFCSA-N 1 3 358.507 4.040 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186367352 1122063437 /nfs/dbraw/zinc/06/34/37/1122063437.db2.gz PHIFIJLQFCRKLK-UHFFFAOYSA-N 1 3 368.521 4.463 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC001168619660 1122167138 /nfs/dbraw/zinc/16/71/38/1122167138.db2.gz ZLUHQBNBAOWUMR-OFNKIYASSA-N 1 3 372.553 4.302 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129890 1122676969 /nfs/dbraw/zinc/67/69/69/1122676969.db2.gz IKGNYQOGTMUNPF-BYZLFZLASA-N 1 3 356.485 4.327 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556129890 1122676972 /nfs/dbraw/zinc/67/69/72/1122676972.db2.gz IKGNYQOGTMUNPF-BYZLFZLASA-N 1 3 356.485 4.327 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178778 1122718082 /nfs/dbraw/zinc/71/80/82/1122718082.db2.gz ISLFBGVYDQMBFL-KNQAVFIVSA-N 1 3 366.505 4.036 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178778 1122718085 /nfs/dbraw/zinc/71/80/85/1122718085.db2.gz ISLFBGVYDQMBFL-KNQAVFIVSA-N 1 3 366.505 4.036 20 0 FIADHO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230582 1122757145 /nfs/dbraw/zinc/75/71/45/1122757145.db2.gz OUFMFCHCHOHKOT-FCHUYYIVSA-N 1 3 370.581 4.474 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]C2c3ccccc3-c3ccccc32)C[C@H](C)O1 ZINC000498451300 1122801236 /nfs/dbraw/zinc/80/12/36/1122801236.db2.gz GDUCQBWXPIENCH-ROUUACIJSA-N 1 3 350.506 4.235 20 0 FIADHO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc2n[nH]cc2c1 ZINC000556923530 1123232913 /nfs/dbraw/zinc/23/29/13/1123232913.db2.gz KWIJFDYDYRLPFL-PZMSFCMUSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc2n[nH]cc2c1 ZINC000556923530 1123232918 /nfs/dbraw/zinc/23/29/18/1123232918.db2.gz KWIJFDYDYRLPFL-PZMSFCMUSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc2n[nH]cc2c1 ZINC000556923530 1123232923 /nfs/dbraw/zinc/23/29/23/1123232923.db2.gz KWIJFDYDYRLPFL-PZMSFCMUSA-N 1 3 360.505 4.124 20 0 FIADHO CCOc1cc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)ccc1OC ZINC000133883146 1123556475 /nfs/dbraw/zinc/55/64/75/1123556475.db2.gz LPOZFFQCDAETQV-UHFFFAOYSA-N 1 3 374.569 4.413 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474598284 1124216930 /nfs/dbraw/zinc/21/69/30/1124216930.db2.gz KQQQNQVHQDQRTG-UZROPOIGSA-N 1 3 364.496 4.223 20 0 FIADHO COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000245750852 1124239395 /nfs/dbraw/zinc/23/93/95/1124239395.db2.gz UBMYHFBZHNPFMH-BJESRGMDSA-N 1 3 350.506 4.159 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccnc(Cl)c1 ZINC000765922255 1124611809 /nfs/dbraw/zinc/61/18/09/1124611809.db2.gz WYJBGKYEEMIFHK-MRXNPFEDSA-N 1 3 359.901 4.060 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247943607 1124732460 /nfs/dbraw/zinc/73/24/60/1124732460.db2.gz DGULPJOWVQFVNU-FCEWJHQRSA-N 1 3 368.949 4.136 20 0 FIADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000248412042 1124764661 /nfs/dbraw/zinc/76/46/61/1124764661.db2.gz ZYRFVYKYAJVYOM-FBBABVLZSA-N 1 3 362.533 4.016 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248456346 1124771844 /nfs/dbraw/zinc/77/18/44/1124771844.db2.gz SFDTZJHHWAXYGU-IERDGZPVSA-N 1 3 358.913 4.148 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248456346 1124771855 /nfs/dbraw/zinc/77/18/55/1124771855.db2.gz SFDTZJHHWAXYGU-IERDGZPVSA-N 1 3 358.913 4.148 20 0 FIADHO CCC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000249120536 1124844922 /nfs/dbraw/zinc/84/49/22/1124844922.db2.gz TWULWQJTIDCKCS-LEWJYISDSA-N 1 3 358.551 4.336 20 0 FIADHO CCC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000249120536 1124844933 /nfs/dbraw/zinc/84/49/33/1124844933.db2.gz TWULWQJTIDCKCS-LEWJYISDSA-N 1 3 358.551 4.336 20 0 FIADHO C[C@@H](NCc1cccc(OC(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000089520331 1124913558 /nfs/dbraw/zinc/91/35/58/1124913558.db2.gz ZSJVKBKDDFDEBK-OAHLLOKOSA-N 1 3 364.436 4.079 20 0 FIADHO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311877911 1125235589 /nfs/dbraw/zinc/23/55/89/1125235589.db2.gz BAWJQVWJYLVUMH-OAQYLSRUSA-N 1 3 352.522 4.476 20 0 FIADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2cc(F)ccc2o1 ZINC000092821186 1125244933 /nfs/dbraw/zinc/24/49/33/1125244933.db2.gz KHUSEQVGLAJPRD-UHFFFAOYSA-N 1 3 368.456 4.100 20 0 FIADHO COc1cccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318296 1125298540 /nfs/dbraw/zinc/29/85/40/1125298540.db2.gz ASSNEMDAKDGZPZ-GHTZIAJQSA-N 1 3 368.521 4.189 20 0 FIADHO COc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318296 1125298542 /nfs/dbraw/zinc/29/85/42/1125298542.db2.gz ASSNEMDAKDGZPZ-GHTZIAJQSA-N 1 3 368.521 4.189 20 0 FIADHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cc(C)ccc1OC ZINC000093399090 1125318669 /nfs/dbraw/zinc/31/86/69/1125318669.db2.gz SKBLFVHHFBCZRX-NRFANRHFSA-N 1 3 356.510 4.185 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)ccc1OC ZINC000182285281 1125323758 /nfs/dbraw/zinc/32/37/58/1125323758.db2.gz YKPZUTVBPOAWMG-KKSFZXQISA-N 1 3 374.500 4.060 20 0 FIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000186902535 568007365 /nfs/dbraw/zinc/00/73/65/568007365.db2.gz FCIQNNPWHQDOSJ-STQMWFEESA-N 1 3 360.315 4.144 20 0 FIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000186902519 568007373 /nfs/dbraw/zinc/00/73/73/568007373.db2.gz FCIQNNPWHQDOSJ-OLZOCXBDSA-N 1 3 360.315 4.144 20 0 FIADHO CN(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119847 568224595 /nfs/dbraw/zinc/22/45/95/568224595.db2.gz JPUMPQLUMXKNFC-NHCUHLMSSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119847 568224596 /nfs/dbraw/zinc/22/45/96/568224596.db2.gz JPUMPQLUMXKNFC-NHCUHLMSSA-N 1 3 369.578 4.138 20 0 FIADHO CCOc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000152774725 1125649655 /nfs/dbraw/zinc/64/96/55/1125649655.db2.gz LQFITOKNWYXJJS-INIZCTEOSA-N 1 3 360.473 4.016 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCCC(C)(C)CO)cc1CN1CCCCC1 ZINC000183015992 1125721220 /nfs/dbraw/zinc/72/12/20/1125721220.db2.gz YBIGPGXFAKPYMC-GOSISDBHSA-N 1 3 362.558 4.130 20 0 FIADHO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1CN1CCCCC1 ZINC000183130480 1125754654 /nfs/dbraw/zinc/75/46/54/1125754654.db2.gz NTMSXBFVVKSFCK-QZTJIDSGSA-N 1 3 360.542 4.147 20 0 FIADHO COc1cc([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407425 1125789188 /nfs/dbraw/zinc/78/91/88/1125789188.db2.gz GASYZKZHMGLLHU-JKSUJKDBSA-N 1 3 362.514 4.459 20 0 FIADHO COc1cc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407425 1125789193 /nfs/dbraw/zinc/78/91/93/1125789193.db2.gz GASYZKZHMGLLHU-JKSUJKDBSA-N 1 3 362.514 4.459 20 0 FIADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180119342 1080451078 /nfs/dbraw/zinc/45/10/78/1080451078.db2.gz JWTKLXRRLNNOTM-XMSQKQJNSA-N 1 3 371.956 4.045 20 0 FIADHO CC(C)n1c2ccccc2nc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001648811050 1081124741 /nfs/dbraw/zinc/12/47/41/1081124741.db2.gz CXMJBWJLPGNQKY-KDURUIRLSA-N 1 3 356.558 4.465 20 0 FIADHO CC(C)n1c2ccccc2nc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001648811050 1081124745 /nfs/dbraw/zinc/12/47/45/1081124745.db2.gz CXMJBWJLPGNQKY-KDURUIRLSA-N 1 3 356.558 4.465 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000655851246 1081260067 /nfs/dbraw/zinc/26/00/67/1081260067.db2.gz CPDTVCHVGUKXQV-UGKGYDQZSA-N 1 3 356.554 4.163 20 0 FIADHO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643738 1081503292 /nfs/dbraw/zinc/50/32/92/1081503292.db2.gz INSGGPVNAFWPMT-RBBKRZOGSA-N 1 3 357.501 4.189 20 0 FIADHO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccnc5ccccc45)C[C@H]3C2)cc1 ZINC000312643738 1081503295 /nfs/dbraw/zinc/50/32/95/1081503295.db2.gz INSGGPVNAFWPMT-RBBKRZOGSA-N 1 3 357.501 4.189 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000683765979 1081518905 /nfs/dbraw/zinc/51/89/05/1081518905.db2.gz NYGRPACJCFWKFE-UHFFFAOYSA-N 1 3 363.505 4.245 20 0 FIADHO Cn1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c2ccc(F)cc21 ZINC000471604891 1082053620 /nfs/dbraw/zinc/05/36/20/1082053620.db2.gz YIZKEUUWQNXGEJ-UHFFFAOYSA-N 1 3 357.517 4.247 20 0 FIADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398201909 1082117065 /nfs/dbraw/zinc/11/70/65/1082117065.db2.gz PXNDEWGKKDHYMU-WMZHIEFXSA-N 1 3 352.522 4.476 20 0 FIADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398201909 1082117073 /nfs/dbraw/zinc/11/70/73/1082117073.db2.gz PXNDEWGKKDHYMU-WMZHIEFXSA-N 1 3 352.522 4.476 20 0 FIADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000581304924 1082447783 /nfs/dbraw/zinc/44/77/83/1082447783.db2.gz JMCMNTGTPMOYRX-HUUCEWRRSA-N 1 3 360.914 4.076 20 0 FIADHO CCC[N@H+](CC)C[C@@H](C)NC1CCN(Cc2ccccc2Cl)CC1 ZINC000581399657 1082526633 /nfs/dbraw/zinc/52/66/33/1082526633.db2.gz ZFDZHOGHERHKBM-QGZVFWFLSA-N 1 3 351.966 4.014 20 0 FIADHO CCC[N@@H+](CC)C[C@@H](C)NC1CCN(Cc2ccccc2Cl)CC1 ZINC000581399657 1082526635 /nfs/dbraw/zinc/52/66/35/1082526635.db2.gz ZFDZHOGHERHKBM-QGZVFWFLSA-N 1 3 351.966 4.014 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2cn(C)nc2-c2ccc(C)o2)c1 ZINC000647172382 1082791604 /nfs/dbraw/zinc/79/16/04/1082791604.db2.gz UQNBOCMUVFICMA-UHFFFAOYSA-N 1 3 366.509 4.120 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318721 1083405848 /nfs/dbraw/zinc/40/58/48/1083405848.db2.gz SJLVZDQOFSVSEW-VXKWHMMOSA-N 1 3 361.533 4.351 20 0 FIADHO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000658320214 1083407033 /nfs/dbraw/zinc/40/70/33/1083407033.db2.gz RUZDZRMPUAYGLH-DENIHFKCSA-N 1 3 366.553 4.417 20 0 FIADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000537969585 1084319529 /nfs/dbraw/zinc/31/95/29/1084319529.db2.gz GYNFNZWWFGOFQR-BZUAXINKSA-N 1 3 358.979 4.202 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cc2n(n1)CCC2 ZINC000414108954 1084578352 /nfs/dbraw/zinc/57/83/52/1084578352.db2.gz GSTHIOVKBIXIRM-MRXNPFEDSA-N 1 3 372.944 4.046 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000414106889 1084579529 /nfs/dbraw/zinc/57/95/29/1084579529.db2.gz YARHSHDONTXDKO-KZNAEPCWSA-N 1 3 373.566 4.350 20 0 FIADHO c1c2ccncc2sc1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657335323 1084622967 /nfs/dbraw/zinc/62/29/67/1084622967.db2.gz NQBUIWRSTRKXNY-GOSISDBHSA-N 1 3 351.519 4.298 20 0 FIADHO c1c2ccncc2sc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657335323 1084622970 /nfs/dbraw/zinc/62/29/70/1084622970.db2.gz NQBUIWRSTRKXNY-GOSISDBHSA-N 1 3 351.519 4.298 20 0 FIADHO Cc1ncsc1-c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000657367962 1084761417 /nfs/dbraw/zinc/76/14/17/1084761417.db2.gz RRWSSSKBCKOYHR-CALCHBBNSA-N 1 3 373.566 4.098 20 0 FIADHO Cc1ncsc1-c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000657367964 1084761928 /nfs/dbraw/zinc/76/19/28/1084761928.db2.gz RRWSSSKBCKOYHR-IAGOWNOFSA-N 1 3 373.566 4.098 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000472584094 1085049329 /nfs/dbraw/zinc/04/93/29/1085049329.db2.gz GOVNTAOTMZVGSZ-XXFRDUSWSA-N 1 3 369.597 4.361 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000472584094 1085049334 /nfs/dbraw/zinc/04/93/34/1085049334.db2.gz GOVNTAOTMZVGSZ-XXFRDUSWSA-N 1 3 369.597 4.361 20 0 FIADHO COc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000582681517 1085368392 /nfs/dbraw/zinc/36/83/92/1085368392.db2.gz YIWUAVMEGBNDOG-XYJFISCASA-N 1 3 373.928 4.305 20 0 FIADHO COCc1ccc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000549549502 1085672467 /nfs/dbraw/zinc/67/24/67/1085672467.db2.gz UDVDABGUWCVAKZ-OALUTQOASA-N 1 3 352.522 4.079 20 0 FIADHO FC(F)(F)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657613511 1085689092 /nfs/dbraw/zinc/68/90/92/1085689092.db2.gz MFRDZSCDJHAPPD-UHFFFAOYSA-N 1 3 369.456 4.164 20 0 FIADHO FC(F)(F)c1cscc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613950 1085699374 /nfs/dbraw/zinc/69/93/74/1085699374.db2.gz YJLALVNTHOCMFP-UHFFFAOYSA-N 1 3 369.456 4.164 20 0 FIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613877 1085699746 /nfs/dbraw/zinc/69/97/46/1085699746.db2.gz VOOCFBFUTNIQGO-KRWDZBQOSA-N 1 3 357.929 4.168 20 0 FIADHO O[C@@H](C[C@H]1CCCCCN1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161401388 1085722163 /nfs/dbraw/zinc/72/21/63/1085722163.db2.gz KUFUJPWLNSLKDW-MOPGFXCFSA-N 1 3 350.572 4.292 20 0 FIADHO COCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024060 1086041015 /nfs/dbraw/zinc/04/10/15/1086041015.db2.gz FPGHOAGFGLGKJN-JOCHJYFZSA-N 1 3 350.506 4.120 20 0 FIADHO COCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024060 1086041028 /nfs/dbraw/zinc/04/10/28/1086041028.db2.gz FPGHOAGFGLGKJN-JOCHJYFZSA-N 1 3 350.506 4.120 20 0 FIADHO C[NH+]1CCC(N[C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663437357 1086541892 /nfs/dbraw/zinc/54/18/92/1086541892.db2.gz MSFAUBCQHYEWCM-OAHLLOKOSA-N 1 3 355.345 4.060 20 0 FIADHO CCN(C)c1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000780878893 1086544274 /nfs/dbraw/zinc/54/42/74/1086544274.db2.gz NHRCWTZOPUKWDH-UGKGYDQZSA-N 1 3 351.538 4.143 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413230 1086736077 /nfs/dbraw/zinc/73/60/77/1086736077.db2.gz LMBGGSLROUUIKV-HNAYVOBHSA-N 1 3 370.459 4.247 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413230 1086736081 /nfs/dbraw/zinc/73/60/81/1086736081.db2.gz LMBGGSLROUUIKV-HNAYVOBHSA-N 1 3 370.459 4.247 20 0 FIADHO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000432425782 1086752439 /nfs/dbraw/zinc/75/24/39/1086752439.db2.gz NPYAXAZCRNXDNI-NVFTXBOLSA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432430009 1086757501 /nfs/dbraw/zinc/75/75/01/1086757501.db2.gz RJRVIGFAGMOSGL-QZTJIDSGSA-N 1 3 350.572 4.339 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432430009 1086757509 /nfs/dbraw/zinc/75/75/09/1086757509.db2.gz RJRVIGFAGMOSGL-QZTJIDSGSA-N 1 3 350.572 4.339 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2sc(Br)cc21 ZINC000650755805 1086964772 /nfs/dbraw/zinc/96/47/72/1086964772.db2.gz NIWZJBIHLZQWBA-AWEZNQCLSA-N 1 3 351.313 4.007 20 0 FIADHO Brc1ccc([C@@H](NCCC2CC[NH2+]CC2)c2ccco2)cc1 ZINC000650762916 1086991940 /nfs/dbraw/zinc/99/19/40/1086991940.db2.gz NJOFEFHFVIVYLN-GOSISDBHSA-N 1 3 363.299 4.111 20 0 FIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2nc3ccccc3n2C)CC1 ZINC000090050256 1087401342 /nfs/dbraw/zinc/40/13/42/1087401342.db2.gz VRGQPLYWPORKMW-RXVVDRJESA-N 1 3 368.569 4.139 20 0 FIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cc2cnccc2o1 ZINC000657866440 1087440463 /nfs/dbraw/zinc/44/04/63/1087440463.db2.gz BZNZENJXOKHHHO-INIZCTEOSA-N 1 3 353.466 4.009 20 0 FIADHO c1nc(-c2ccccn2)sc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769374 1087456020 /nfs/dbraw/zinc/45/60/20/1087456020.db2.gz FIRPJGOEBWZDEL-UHFFFAOYSA-N 1 3 370.566 4.293 20 0 FIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470331 1087577554 /nfs/dbraw/zinc/57/75/54/1087577554.db2.gz HAJBPTGDQUCJQM-VGSWGCGISA-N 1 3 356.485 4.177 20 0 FIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470331 1087577555 /nfs/dbraw/zinc/57/75/55/1087577555.db2.gz HAJBPTGDQUCJQM-VGSWGCGISA-N 1 3 356.485 4.177 20 0 FIADHO CC(C)CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658139243 1087746077 /nfs/dbraw/zinc/74/60/77/1087746077.db2.gz PMVQZBZRJBYDES-FGZHOGPDSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658139243 1087746091 /nfs/dbraw/zinc/74/60/91/1087746091.db2.gz PMVQZBZRJBYDES-FGZHOGPDSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccn1 ZINC000658164432 1087759290 /nfs/dbraw/zinc/75/92/90/1087759290.db2.gz CYPCPXSTHYTPDF-QFIPXVFZSA-N 1 3 352.526 4.066 20 0 FIADHO CC1(C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000658164301 1087759349 /nfs/dbraw/zinc/75/93/49/1087759349.db2.gz CLUAWTAFKKJETP-XZOQPEGZSA-N 1 3 363.549 4.466 20 0 FIADHO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCCCC2 ZINC000658166762 1087761852 /nfs/dbraw/zinc/76/18/52/1087761852.db2.gz ONHFFQABZVIDTF-YADHBBJMSA-N 1 3 371.569 4.011 20 0 FIADHO C[C@H](CCc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166249 1087762610 /nfs/dbraw/zinc/76/26/10/1087762610.db2.gz NHZGJVTXDIMBEV-GOSISDBHSA-N 1 3 355.501 4.044 20 0 FIADHO Cc1ccc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CCC2)o1 ZINC000658166306 1087762669 /nfs/dbraw/zinc/76/26/69/1087762669.db2.gz NSEOWILFEYXJRU-QFIPXVFZSA-N 1 3 353.510 4.326 20 0 FIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000472602159 1088028170 /nfs/dbraw/zinc/02/81/70/1088028170.db2.gz UKPHSMLNJMFNBF-UHFFFAOYSA-N 1 3 350.506 4.422 20 0 FIADHO COc1ccccc1-c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000472602159 1088028182 /nfs/dbraw/zinc/02/81/82/1088028182.db2.gz UKPHSMLNJMFNBF-UHFFFAOYSA-N 1 3 350.506 4.422 20 0 FIADHO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000423233539 1088078250 /nfs/dbraw/zinc/07/82/50/1088078250.db2.gz DQCXVFRYTRLTEQ-YTFSRNRJSA-N 1 3 351.538 4.235 20 0 FIADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414812619 1088225779 /nfs/dbraw/zinc/22/57/79/1088225779.db2.gz XOFSAXOAQGSOKR-UZLBHIALSA-N 1 3 371.912 4.199 20 0 FIADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815572 1088244952 /nfs/dbraw/zinc/24/49/52/1088244952.db2.gz XQESNTDGUSOJER-QGZVFWFLSA-N 1 3 362.521 4.166 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659285865 1088415728 /nfs/dbraw/zinc/41/57/28/1088415728.db2.gz SMEXWIPTMJZDDG-HTAPYJJXSA-N 1 3 363.505 4.234 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659285865 1088415737 /nfs/dbraw/zinc/41/57/37/1088415737.db2.gz SMEXWIPTMJZDDG-HTAPYJJXSA-N 1 3 363.505 4.234 20 0 FIADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1OC ZINC000514089122 1088736278 /nfs/dbraw/zinc/73/62/78/1088736278.db2.gz OOVRJZPASMYSRC-GOSISDBHSA-N 1 3 368.521 4.459 20 0 FIADHO C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000648371732 1088929312 /nfs/dbraw/zinc/92/93/12/1088929312.db2.gz HYBMIWMOGAJUAS-QGZVFWFLSA-N 1 3 369.896 4.435 20 0 FIADHO C[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000648371732 1088929315 /nfs/dbraw/zinc/92/93/15/1088929315.db2.gz HYBMIWMOGAJUAS-QGZVFWFLSA-N 1 3 369.896 4.435 20 0 FIADHO [NH3+]CCC[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000415048934 1089086077 /nfs/dbraw/zinc/08/60/77/1089086077.db2.gz GQYPWEUBJJBPRL-GOSISDBHSA-N 1 3 360.885 4.071 20 0 FIADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415093804 1089152973 /nfs/dbraw/zinc/15/29/73/1089152973.db2.gz WCGCHMJKUGGZNW-ZBFHGGJFSA-N 1 3 371.352 4.162 20 0 FIADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccc4)cc3F)CC2)C1 ZINC000415122059 1089184370 /nfs/dbraw/zinc/18/43/70/1089184370.db2.gz JIQTXVFHZFMEBC-JTHBVZDNSA-N 1 3 368.496 4.211 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000500073470 1091023122 /nfs/dbraw/zinc/02/31/22/1091023122.db2.gz JRNYTHYOTDIRGO-NRFANRHFSA-N 1 3 357.586 4.266 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000500073470 1091023129 /nfs/dbraw/zinc/02/31/29/1091023129.db2.gz JRNYTHYOTDIRGO-NRFANRHFSA-N 1 3 357.586 4.266 20 0 FIADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556037 1091249097 /nfs/dbraw/zinc/24/90/97/1091249097.db2.gz LJVHSRNKZAARIU-QFIPXVFZSA-N 1 3 365.521 4.035 20 0 FIADHO CC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390556037 1091249107 /nfs/dbraw/zinc/24/91/07/1091249107.db2.gz LJVHSRNKZAARIU-QFIPXVFZSA-N 1 3 365.521 4.035 20 0 FIADHO CCN1CCC([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000390560335 1091262115 /nfs/dbraw/zinc/26/21/15/1091262115.db2.gz LHBIUSFEULAGBR-UHFFFAOYSA-N 1 3 365.565 4.153 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000187377384 1091878772 /nfs/dbraw/zinc/87/87/72/1091878772.db2.gz RRSYBIGFBYGNEY-HKBOAZHASA-N 1 3 374.594 4.198 20 0 FIADHO Cn1cc(-c2ccc(CNCc3cccc(C[NH+]4CCCC4)c3)s2)cn1 ZINC000509530552 1092338331 /nfs/dbraw/zinc/33/83/31/1092338331.db2.gz ZPLWCJYCZGJXSX-UHFFFAOYSA-N 1 3 366.534 4.034 20 0 FIADHO CC(C)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000236701426 1092412670 /nfs/dbraw/zinc/41/26/70/1092412670.db2.gz ZXAVDNVMUXQRIN-UHFFFAOYSA-N 1 3 356.485 4.325 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000665271635 1092420607 /nfs/dbraw/zinc/42/06/07/1092420607.db2.gz PMMPUFPVFVSJGG-LSUHJGNXSA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000665271635 1092420613 /nfs/dbraw/zinc/42/06/13/1092420613.db2.gz PMMPUFPVFVSJGG-LSUHJGNXSA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000665271635 1092420618 /nfs/dbraw/zinc/42/06/18/1092420618.db2.gz PMMPUFPVFVSJGG-LSUHJGNXSA-N 1 3 361.533 4.146 20 0 FIADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000549726898 1092723431 /nfs/dbraw/zinc/72/34/31/1092723431.db2.gz OOVTUCSVMSVAJG-WIYYLYMNSA-N 1 3 364.574 4.133 20 0 FIADHO CN1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1(C)C ZINC000442872947 1092820758 /nfs/dbraw/zinc/82/07/58/1092820758.db2.gz OGQYYCMMMGIAPL-FQEVSTJZSA-N 1 3 357.542 4.136 20 0 FIADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442873285 1092820895 /nfs/dbraw/zinc/82/08/95/1092820895.db2.gz KFFOPCSKOMERAG-KRWDZBQOSA-N 1 3 358.357 4.060 20 0 FIADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(-c2ccccc2)c1 ZINC000442894472 1092848506 /nfs/dbraw/zinc/84/85/06/1092848506.db2.gz ZOBRGLNIPRBFEU-IBGZPJMESA-N 1 3 351.538 4.030 20 0 FIADHO CC(C)c1nc([C@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000469775144 1093122580 /nfs/dbraw/zinc/12/25/80/1093122580.db2.gz JILAMHVODXTTKL-INIZCTEOSA-N 1 3 361.555 4.100 20 0 FIADHO C[C@H]1CC([NH2+]C2CCN(C3CCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168020362 1093213745 /nfs/dbraw/zinc/21/37/45/1093213745.db2.gz MRBJFYRHVJPWEJ-OALUTQOASA-N 1 3 355.570 4.035 20 0 FIADHO CCc1nc(C)c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000433127949 1093312378 /nfs/dbraw/zinc/31/23/78/1093312378.db2.gz KDBWTHFPFJPUDN-UHFFFAOYSA-N 1 3 353.510 4.034 20 0 FIADHO C[C@H]1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C[C@H](C)N1Cc1ccccc1 ZINC001168022648 1093313015 /nfs/dbraw/zinc/31/30/15/1093313015.db2.gz AVOOOVGUTFYMBP-KCRBMJMASA-N 1 3 355.570 4.033 20 0 FIADHO Cc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882856 1093398979 /nfs/dbraw/zinc/39/89/79/1093398979.db2.gz HDYVLYJEJLICFR-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882856 1093398989 /nfs/dbraw/zinc/39/89/89/1093398989.db2.gz HDYVLYJEJLICFR-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882856 1093398996 /nfs/dbraw/zinc/39/89/96/1093398996.db2.gz HDYVLYJEJLICFR-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H]2COCc3ccccc32)C[C@@H](C)N1Cc1ccccc1 ZINC001168025872 1093443071 /nfs/dbraw/zinc/44/30/71/1093443071.db2.gz KDZWUWICMYUGNL-PMAPCBKXSA-N 1 3 350.506 4.289 20 0 FIADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCCN1C1CCCC1 ZINC000433319451 1093579605 /nfs/dbraw/zinc/57/96/05/1093579605.db2.gz OLPNWPQBTMBRAR-QFIPXVFZSA-N 1 3 369.553 4.061 20 0 FIADHO C[C@@H]1C[C@H](N[C@H](CCCO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513221867 1094018803 /nfs/dbraw/zinc/01/88/03/1094018803.db2.gz FIDILZLDNQIPQG-UEVCKROQSA-N 1 3 352.522 4.143 20 0 FIADHO C[C@@H]1C[C@H](N[C@H](CCCO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513221867 1094018810 /nfs/dbraw/zinc/01/88/10/1094018810.db2.gz FIDILZLDNQIPQG-UEVCKROQSA-N 1 3 352.522 4.143 20 0 FIADHO C[C@@H](CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)N(C)Cc1ccccc1 ZINC000513364184 1094080779 /nfs/dbraw/zinc/08/07/79/1094080779.db2.gz GYTAHINGDZCCEB-RDPSFJRHSA-N 1 3 374.532 4.261 20 0 FIADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513679422 1094264386 /nfs/dbraw/zinc/26/43/86/1094264386.db2.gz WZYLSPHOLSKMCZ-FUBOCBINSA-N 1 3 356.554 4.082 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501090420 1094490047 /nfs/dbraw/zinc/49/00/47/1094490047.db2.gz MPFWIQNYOJTVFC-HXUWFJFHSA-N 1 3 351.966 4.043 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000474735204 1094548636 /nfs/dbraw/zinc/54/86/36/1094548636.db2.gz WTYKWXZPCSVLAR-RZUBCFFCSA-N 1 3 366.549 4.341 20 0 FIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1OC ZINC000474793553 1094630545 /nfs/dbraw/zinc/63/05/45/1094630545.db2.gz DWCVPUAYNLHXEP-IAGOWNOFSA-N 1 3 360.542 4.192 20 0 FIADHO CCCN(CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420322950 1094869131 /nfs/dbraw/zinc/86/91/31/1094869131.db2.gz SWVZTAMKFJHUGK-CQSZACIVSA-N 1 3 372.340 4.034 20 0 FIADHO Cc1cc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)oc1C ZINC000502369956 1095421317 /nfs/dbraw/zinc/42/13/17/1095421317.db2.gz ZDNSXKLBDUGMQW-LJQANCHMSA-N 1 3 355.526 4.149 20 0 FIADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074295 1096051751 /nfs/dbraw/zinc/05/17/51/1096051751.db2.gz QJOPOUFOBPDRHL-QUCCMNQESA-N 1 3 374.573 4.246 20 0 FIADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074295 1096051763 /nfs/dbraw/zinc/05/17/63/1096051763.db2.gz QJOPOUFOBPDRHL-QUCCMNQESA-N 1 3 374.573 4.246 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccsc2S1 ZINC000272774855 1096211378 /nfs/dbraw/zinc/21/13/78/1096211378.db2.gz UETWOXFXJOGREN-FNHZYXHNSA-N 1 3 374.575 4.030 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccsc2S1 ZINC000272774855 1096211386 /nfs/dbraw/zinc/21/13/86/1096211386.db2.gz UETWOXFXJOGREN-FNHZYXHNSA-N 1 3 374.575 4.030 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000422742737 1096478245 /nfs/dbraw/zinc/47/82/45/1096478245.db2.gz HABDFOQNRSAFOW-UZLBHIALSA-N 1 3 372.582 4.034 20 0 FIADHO COc1ccc2cc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422799492 1096493816 /nfs/dbraw/zinc/49/38/16/1096493816.db2.gz XAGDRFOHBXONAE-ISKFKSNPSA-N 1 3 374.484 4.194 20 0 FIADHO COc1cccc([C@@H](N[C@@H](C)CCCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422824997 1096500618 /nfs/dbraw/zinc/50/06/18/1096500618.db2.gz OVODNMHTDWURLX-YCRPNKLZSA-N 1 3 360.473 4.039 20 0 FIADHO FC(F)Oc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422832169 1096501707 /nfs/dbraw/zinc/50/17/07/1096501707.db2.gz UTWMUJIRBQSDGN-CADBVGFASA-N 1 3 350.453 4.176 20 0 FIADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422880928 1096510855 /nfs/dbraw/zinc/51/08/55/1096510855.db2.gz XVDNKVNBKKXYNA-BLLLJJGKSA-N 1 3 367.946 4.176 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422874669 1096518044 /nfs/dbraw/zinc/51/80/44/1096518044.db2.gz OCMXHEFAWNIHSZ-KGLIPLIRSA-N 1 3 357.473 4.188 20 0 FIADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422897360 1096518383 /nfs/dbraw/zinc/51/83/83/1096518383.db2.gz ZSRZYBZCWNYCRJ-AMHTUMDSSA-N 1 3 366.505 4.380 20 0 FIADHO c1c2ccccc2sc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422902786 1096520621 /nfs/dbraw/zinc/52/06/21/1096520621.db2.gz NOYUNSWYBKUXSW-RXVVDRJESA-N 1 3 350.487 4.247 20 0 FIADHO COc1ccc([C@H](NC2CCC([NH3+])CC2)c2ccccc2Cl)cc1OC ZINC000422925466 1096526429 /nfs/dbraw/zinc/52/64/29/1096526429.db2.gz VILLQIJFXYRVAO-BUNACBEFSA-N 1 3 374.912 4.306 20 0 FIADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccccc3Cl)CCOCC2)c2ccccc21 ZINC000422954946 1096538834 /nfs/dbraw/zinc/53/88/34/1096538834.db2.gz IPYGXLCKRHQLRB-UXHICEINSA-N 1 3 356.897 4.123 20 0 FIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc(-c2cccnc2)c1 ZINC000423052647 1096564869 /nfs/dbraw/zinc/56/48/69/1096564869.db2.gz RAQXKMJRFXFQRT-VWNXMTODSA-N 1 3 371.484 4.094 20 0 FIADHO CCCN(C)[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423102711 1096567831 /nfs/dbraw/zinc/56/78/31/1096567831.db2.gz KKTRFOHYODPKFB-VFNWGFHPSA-N 1 3 374.960 4.236 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423122573 1096578427 /nfs/dbraw/zinc/57/84/27/1096578427.db2.gz KAOPENDUCRXMCZ-CVEARBPZSA-N 1 3 362.477 4.448 20 0 FIADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423119777 1096578601 /nfs/dbraw/zinc/57/86/01/1096578601.db2.gz DQXBFCXEIGBPNF-XMZIXOGTSA-N 1 3 350.304 4.023 20 0 FIADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423104018 1096582250 /nfs/dbraw/zinc/58/22/50/1096582250.db2.gz PMUDPNVXMUEXIA-IXDOHACOSA-N 1 3 364.942 4.110 20 0 FIADHO CSc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112050 1096585879 /nfs/dbraw/zinc/58/58/79/1096585879.db2.gz XGZVPQVDHFNTRE-NYSBEXSLSA-N 1 3 354.519 4.315 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423149845 1096588132 /nfs/dbraw/zinc/58/81/32/1096588132.db2.gz BAUPXUIFFVNKOE-HNNXBMFYSA-N 1 3 359.464 4.143 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000423133186 1096590534 /nfs/dbraw/zinc/59/05/34/1096590534.db2.gz VRTVWVDRTPFVSV-SBUREZEXSA-N 1 3 368.569 4.001 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000423166335 1096599729 /nfs/dbraw/zinc/59/97/29/1096599729.db2.gz VNENSDVNPRYBEE-OAHLLOKOSA-N 1 3 359.464 4.143 20 0 FIADHO Brc1ccc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000423260764 1096634184 /nfs/dbraw/zinc/63/41/84/1096634184.db2.gz QPZVIRXYYNAYHD-RDTXWAMCSA-N 1 3 363.299 4.111 20 0 FIADHO [NH3+]CCCCN[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000423341272 1096651243 /nfs/dbraw/zinc/65/12/43/1096651243.db2.gz XZAKEWLTISENOK-QGZVFWFLSA-N 1 3 351.263 4.006 20 0 FIADHO Nc1ccc2c(c1)CCC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423359217 1096656196 /nfs/dbraw/zinc/65/61/96/1096656196.db2.gz URWVPXAZXNVRFL-JTOYRKQZSA-N 1 3 361.533 4.431 20 0 FIADHO Nc1ccc2c(c1)CCC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359217 1096656202 /nfs/dbraw/zinc/65/62/02/1096656202.db2.gz URWVPXAZXNVRFL-JTOYRKQZSA-N 1 3 361.533 4.431 20 0 FIADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423405445 1096672360 /nfs/dbraw/zinc/67/23/60/1096672360.db2.gz XZXKUKTVBWVTSX-OAHLLOKOSA-N 1 3 363.530 4.496 20 0 FIADHO COc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000423472251 1096694098 /nfs/dbraw/zinc/69/40/98/1096694098.db2.gz NBWWBYXMSBSRBT-TVTNDZMWSA-N 1 3 356.485 4.187 20 0 FIADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423475046 1096695586 /nfs/dbraw/zinc/69/55/86/1096695586.db2.gz PSCKDMLQYJBKRQ-MZMPZRCHSA-N 1 3 363.299 4.239 20 0 FIADHO COc1ccc([C@@H](NCCC2=CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423540864 1096716430 /nfs/dbraw/zinc/71/64/30/1096716430.db2.gz QXYKQIJAVJSEOO-OAQYLSRUSA-N 1 3 356.897 4.337 20 0 FIADHO COc1ccccc1-c1ccc(CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414876671 1098653372 /nfs/dbraw/zinc/65/33/72/1098653372.db2.gz KTKFQWIIYSZNPX-UHFFFAOYSA-N 1 3 361.489 4.027 20 0 FIADHO C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000436403977 1098992958 /nfs/dbraw/zinc/99/29/58/1098992958.db2.gz AUWJAMPAECOLIU-WMZOPIPTSA-N 1 3 351.469 4.307 20 0 FIADHO COc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000162265433 1099670738 /nfs/dbraw/zinc/67/07/38/1099670738.db2.gz OUTSXDCCGQOMGR-JKSUJKDBSA-N 1 3 360.473 4.187 20 0 FIADHO COc1ccc([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162277226 1099672438 /nfs/dbraw/zinc/67/24/38/1099672438.db2.gz HTKAYFOLCTTZKV-JKSUJKDBSA-N 1 3 360.473 4.187 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)c2ccsc2S1 ZINC000162502039 1099812976 /nfs/dbraw/zinc/81/29/76/1099812976.db2.gz FALPOVLVXRDNJJ-KBXCAEBGSA-N 1 3 362.564 4.404 20 0 FIADHO C[C@@H]([NH2+]CCc1nc2ccccc2s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508691805 1099824989 /nfs/dbraw/zinc/82/49/89/1099824989.db2.gz QEPKUATUQSQHRB-MJGOQNOKSA-N 1 3 365.546 4.339 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1C(F)(F)F ZINC000162567593 1099875715 /nfs/dbraw/zinc/87/57/15/1099875715.db2.gz IQJDVQPZPITDGQ-OAHLLOKOSA-N 1 3 366.427 4.497 20 0 FIADHO C[C@H](N[C@H](CCCO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713923 1099885445 /nfs/dbraw/zinc/88/54/45/1099885445.db2.gz GOOBVPBIKZZVJD-WWPVKYPJSA-N 1 3 352.522 4.000 20 0 FIADHO C[C@H](N[C@H](CCCO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713923 1099885459 /nfs/dbraw/zinc/88/54/59/1099885459.db2.gz GOOBVPBIKZZVJD-WWPVKYPJSA-N 1 3 352.522 4.000 20 0 FIADHO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508719420 1099908930 /nfs/dbraw/zinc/90/89/30/1099908930.db2.gz PMBGZVHOMMMZBP-HKUYNNGSSA-N 1 3 371.594 4.483 20 0 FIADHO CCOc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440425 1100175437 /nfs/dbraw/zinc/17/54/37/1100175437.db2.gz USMPOKPKQUUGBA-OXJNMPFZSA-N 1 3 360.523 4.025 20 0 FIADHO CCOc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1O ZINC000459440425 1100175446 /nfs/dbraw/zinc/17/54/46/1100175446.db2.gz USMPOKPKQUUGBA-OXJNMPFZSA-N 1 3 360.523 4.025 20 0 FIADHO c1nnsc1CN1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459516943 1100255029 /nfs/dbraw/zinc/25/50/29/1100255029.db2.gz DZHGLBTUUOTLOJ-OAQYLSRUSA-N 1 3 370.566 4.195 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@H]4CC[N@H+](C)C[C@H]4C)cc3)ccc2O1 ZINC000536838074 1100349733 /nfs/dbraw/zinc/34/97/33/1100349733.db2.gz GNOJDLTZNSUSCX-YVHKJVDXSA-N 1 3 350.506 4.107 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@H]4CC[N@@H+](C)C[C@H]4C)cc3)ccc2O1 ZINC000536838074 1100349742 /nfs/dbraw/zinc/34/97/42/1100349742.db2.gz GNOJDLTZNSUSCX-YVHKJVDXSA-N 1 3 350.506 4.107 20 0 FIADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000536844289 1100356846 /nfs/dbraw/zinc/35/68/46/1100356846.db2.gz HWSNDMDHWMMEEG-PWRODBHTSA-N 1 3 362.945 4.075 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536858609 1100375173 /nfs/dbraw/zinc/37/51/73/1100375173.db2.gz QZTWFYIBZIMBPR-KSZLIROESA-N 1 3 350.572 4.339 20 0 FIADHO CCN1CCN(c2ccccc2C[N@H+](CC)[C@H](C)c2cccc(O)c2)CC1 ZINC000509547059 1100934636 /nfs/dbraw/zinc/93/46/36/1100934636.db2.gz WVWGGDBOIKOAPL-LJQANCHMSA-N 1 3 367.537 4.117 20 0 FIADHO CCN1CCN(c2ccccc2C[N@@H+](CC)[C@H](C)c2cccc(O)c2)CC1 ZINC000509547059 1100934638 /nfs/dbraw/zinc/93/46/38/1100934638.db2.gz WVWGGDBOIKOAPL-LJQANCHMSA-N 1 3 367.537 4.117 20 0 FIADHO FC(F)(F)c1ccc(-c2nc(CNCCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414975007 1101072554 /nfs/dbraw/zinc/07/25/54/1101072554.db2.gz OCBUUVCVIHTLJN-OAHLLOKOSA-N 1 3 369.456 4.451 20 0 FIADHO C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000426355032 1101352307 /nfs/dbraw/zinc/35/23/07/1101352307.db2.gz XKWGKCOEHUQONI-TYYYZTEESA-N 1 3 370.562 4.251 20 0 FIADHO C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000426355032 1101352320 /nfs/dbraw/zinc/35/23/20/1101352320.db2.gz XKWGKCOEHUQONI-TYYYZTEESA-N 1 3 370.562 4.251 20 0 FIADHO CC(C)[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000537013863 1101394316 /nfs/dbraw/zinc/39/43/16/1101394316.db2.gz UHWQVYQOXMNDCI-SFHVURJKSA-N 1 3 351.332 4.363 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3cccc(-c4ccncc4)c3)C2)cc1 ZINC000439476547 1101477964 /nfs/dbraw/zinc/47/79/64/1101477964.db2.gz QWOPOOSIHVGWAL-HSZRJFAPSA-N 1 3 371.528 4.403 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1O2 ZINC000537173931 1101516443 /nfs/dbraw/zinc/51/64/43/1101516443.db2.gz OZOUPEZPSORWDA-HXUWFJFHSA-N 1 3 372.459 4.085 20 0 FIADHO Cc1cccc(C)c1CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537191916 1101524510 /nfs/dbraw/zinc/52/45/10/1101524510.db2.gz GYWQNOBUXIEWPA-JOCHJYFZSA-N 1 3 364.533 4.424 20 0 FIADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189559 1101997377 /nfs/dbraw/zinc/99/73/77/1101997377.db2.gz DJYYZIVJQXDJFF-YMPZKCBVSA-N 1 3 370.581 4.474 20 0 FIADHO C[C@H]1C[C@@H](NCCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000519476871 1102236055 /nfs/dbraw/zinc/23/60/55/1102236055.db2.gz DMUJFANWVNLOKF-HKUYNNGSSA-N 1 3 365.546 4.482 20 0 FIADHO C[C@H]1C[C@@H](NCCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000519476871 1102236065 /nfs/dbraw/zinc/23/60/65/1102236065.db2.gz DMUJFANWVNLOKF-HKUYNNGSSA-N 1 3 365.546 4.482 20 0 FIADHO Fc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969404 1102371073 /nfs/dbraw/zinc/37/10/73/1102371073.db2.gz BSVRKFCGVXCSCK-WVUPVLJSSA-N 1 3 372.528 4.288 20 0 FIADHO Fc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CCOCC2)cc1 ZINC001167969404 1102371086 /nfs/dbraw/zinc/37/10/86/1102371086.db2.gz BSVRKFCGVXCSCK-WVUPVLJSSA-N 1 3 372.528 4.288 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532483214 1102425366 /nfs/dbraw/zinc/42/53/66/1102425366.db2.gz ZALBTJIERXERET-DMVWFOPNSA-N 1 3 369.372 4.304 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532483214 1102425373 /nfs/dbraw/zinc/42/53/73/1102425373.db2.gz ZALBTJIERXERET-DMVWFOPNSA-N 1 3 369.372 4.304 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887728 1102658496 /nfs/dbraw/zinc/65/84/96/1102658496.db2.gz ZFQBEMGUCRXEAO-ICSRJNTNSA-N 1 3 370.562 4.328 20 0 FIADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887728 1102658501 /nfs/dbraw/zinc/65/85/01/1102658501.db2.gz ZFQBEMGUCRXEAO-ICSRJNTNSA-N 1 3 370.562 4.328 20 0 FIADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887728 1102658503 /nfs/dbraw/zinc/65/85/03/1102658503.db2.gz ZFQBEMGUCRXEAO-ICSRJNTNSA-N 1 3 370.562 4.328 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000550932420 1102712080 /nfs/dbraw/zinc/71/20/80/1102712080.db2.gz WOBHNVNVBICDCW-JOCHJYFZSA-N 1 3 366.505 4.032 20 0 FIADHO COCCOc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123018919 1102746505 /nfs/dbraw/zinc/74/65/05/1102746505.db2.gz KQUVIUCIOJOQJW-IBGZPJMESA-N 1 3 368.521 4.158 20 0 FIADHO COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCC2)c1 ZINC001167979075 1102747351 /nfs/dbraw/zinc/74/73/51/1102747351.db2.gz UOYWSHLOOOMJGB-SEJPIABJSA-N 1 3 354.538 4.155 20 0 FIADHO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271814 1102904599 /nfs/dbraw/zinc/90/45/99/1102904599.db2.gz XIMBYRNLJCAVDM-YADHBBJMSA-N 1 3 370.581 4.474 20 0 FIADHO CC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550271478 1102906143 /nfs/dbraw/zinc/90/61/43/1102906143.db2.gz SYAKOCGNLJJOOD-NJEKYYFSSA-N 1 3 356.554 4.084 20 0 FIADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087734 1102907473 /nfs/dbraw/zinc/90/74/73/1102907473.db2.gz ZIVADIBLRLFMAF-QHAWAJNXSA-N 1 3 358.913 4.453 20 0 FIADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087734 1102907476 /nfs/dbraw/zinc/90/74/76/1102907476.db2.gz ZIVADIBLRLFMAF-QHAWAJNXSA-N 1 3 358.913 4.453 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000506864096 1102916735 /nfs/dbraw/zinc/91/67/35/1102916735.db2.gz ZIGHXMCFSLKCBX-UHFFFAOYSA-N 1 3 358.505 4.160 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000506864096 1102916737 /nfs/dbraw/zinc/91/67/37/1102916737.db2.gz ZIGHXMCFSLKCBX-UHFFFAOYSA-N 1 3 358.505 4.160 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1O ZINC000459365373 1102928870 /nfs/dbraw/zinc/92/88/70/1102928870.db2.gz BAAGPDORBPBULB-GOSISDBHSA-N 1 3 368.521 4.455 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1O ZINC000459365373 1102928873 /nfs/dbraw/zinc/92/88/73/1102928873.db2.gz BAAGPDORBPBULB-GOSISDBHSA-N 1 3 368.521 4.455 20 0 FIADHO Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000551139305 1102944279 /nfs/dbraw/zinc/94/42/79/1102944279.db2.gz XRXMZBLETDMJKI-UHFFFAOYSA-N 1 3 365.521 4.295 20 0 FIADHO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265352 1103025392 /nfs/dbraw/zinc/02/53/92/1103025392.db2.gz UBCBRZOUMSWCAD-NFBKMPQASA-N 1 3 370.581 4.474 20 0 FIADHO c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507459372 1103405336 /nfs/dbraw/zinc/40/53/36/1103405336.db2.gz FUGPYZVKESFTKZ-SSPYTLHUSA-N 1 3 359.517 4.211 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccccc1O2 ZINC000538269496 1104091220 /nfs/dbraw/zinc/09/12/20/1104091220.db2.gz BYDKSEFFRHCGRK-OAQYLSRUSA-N 1 3 372.553 4.304 20 0 FIADHO CC(C)CSCCC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538307295 1104104075 /nfs/dbraw/zinc/10/40/75/1104104075.db2.gz MCLLVVBREGDSGB-LJQANCHMSA-N 1 3 362.583 4.344 20 0 FIADHO Cc1ccc2cc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)ccc2n1 ZINC000189314691 1104794717 /nfs/dbraw/zinc/79/47/17/1104794717.db2.gz ALGULKLKRJGNKW-QFIPXVFZSA-N 1 3 359.517 4.197 20 0 FIADHO CC(C)c1ccc2c(c1)[C@H](NCC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000536423995 1104927910 /nfs/dbraw/zinc/92/79/10/1104927910.db2.gz KKDPNRGAYCXRTJ-JOCHJYFZSA-N 1 3 356.554 4.422 20 0 FIADHO Cc1ccc2ncc(C[NH2+]C3C[C@@H](C)N(Cc4ccccc4)[C@H](C)C3)n2c1 ZINC001168007940 1105148941 /nfs/dbraw/zinc/14/89/41/1105148941.db2.gz VPJACHBWYARXMJ-RTBURBONSA-N 1 3 362.521 4.174 20 0 FIADHO Cc1cccc2ncc(C[NH2+]C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)n21 ZINC001168008292 1105178461 /nfs/dbraw/zinc/17/84/61/1105178461.db2.gz XCCSUWASVXAKNT-OALUTQOASA-N 1 3 362.521 4.174 20 0 FIADHO Clc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530220505 1106914925 /nfs/dbraw/zinc/91/49/25/1106914925.db2.gz NOOIICFUAVILAO-DYXWJJEUSA-N 1 3 354.881 4.173 20 0 FIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152444358 1107651853 /nfs/dbraw/zinc/65/18/53/1107651853.db2.gz LYQDGBCZYMSWEW-MAUKXSAKSA-N 1 3 355.551 4.177 20 0 FIADHO C[C@H](Cc1ccc(Br)c(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000475576771 1107785024 /nfs/dbraw/zinc/78/50/24/1107785024.db2.gz VYUOKJYJLFKILS-IUDNXUCKSA-N 1 3 369.322 4.126 20 0 FIADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2sccc21 ZINC000453122986 1108189563 /nfs/dbraw/zinc/18/95/63/1108189563.db2.gz FLOUBWVQRUGDRX-IERDGZPVSA-N 1 3 370.562 4.433 20 0 FIADHO C[C@@H]1CC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2sccc21 ZINC000453122986 1108189566 /nfs/dbraw/zinc/18/95/66/1108189566.db2.gz FLOUBWVQRUGDRX-IERDGZPVSA-N 1 3 370.562 4.433 20 0 FIADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2sccc21 ZINC000453122984 1108190534 /nfs/dbraw/zinc/19/05/34/1108190534.db2.gz FLOUBWVQRUGDRX-HRAATJIYSA-N 1 3 370.562 4.433 20 0 FIADHO C[C@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2sccc21 ZINC000453122984 1108190540 /nfs/dbraw/zinc/19/05/40/1108190540.db2.gz FLOUBWVQRUGDRX-HRAATJIYSA-N 1 3 370.562 4.433 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453164077 1108234678 /nfs/dbraw/zinc/23/46/78/1108234678.db2.gz QQDZWZGEDVSFGY-HBMCJLEFSA-N 1 3 362.945 4.149 20 0 FIADHO CSC1(CN[C@@H](C)c2ccc(Oc3ccccc3)cn2)CC[NH+](C)CC1 ZINC000453256146 1108329362 /nfs/dbraw/zinc/32/93/62/1108329362.db2.gz QSBXVXVJBDADRN-KRWDZBQOSA-N 1 3 371.550 4.352 20 0 FIADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000531931072 1108402490 /nfs/dbraw/zinc/40/24/90/1108402490.db2.gz VPVPQKNAUKQIDP-MRXNPFEDSA-N 1 3 359.558 4.426 20 0 FIADHO Cn1ccnc1CN1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453603720 1108653545 /nfs/dbraw/zinc/65/35/45/1108653545.db2.gz YMTBYLXICHQJKV-JOCHJYFZSA-N 1 3 366.553 4.077 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225245 1108723441 /nfs/dbraw/zinc/72/34/41/1108723441.db2.gz FNIJCKKMCYYFQK-IEBWSBKVSA-N 1 3 356.485 4.397 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225245 1108723446 /nfs/dbraw/zinc/72/34/46/1108723446.db2.gz FNIJCKKMCYYFQK-IEBWSBKVSA-N 1 3 356.485 4.397 20 0 FIADHO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000623357333 1108905181 /nfs/dbraw/zinc/90/51/81/1108905181.db2.gz JWXRTWIPABOSJE-DYESRHJHSA-N 1 3 365.521 4.462 20 0 FIADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1cccc(F)c1 ZINC000446745655 1109326988 /nfs/dbraw/zinc/32/69/88/1109326988.db2.gz SPZGCEKOJFHUJH-HSZRJFAPSA-N 1 3 369.528 4.204 20 0 FIADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525633042 1109462611 /nfs/dbraw/zinc/46/26/11/1109462611.db2.gz DSCFXDDDCDAJBJ-FDRBHKFBSA-N 1 3 363.634 4.329 20 0 FIADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000525633042 1109462612 /nfs/dbraw/zinc/46/26/12/1109462612.db2.gz DSCFXDDDCDAJBJ-FDRBHKFBSA-N 1 3 363.634 4.329 20 0 FIADHO CO[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000525696286 1109480585 /nfs/dbraw/zinc/48/05/85/1109480585.db2.gz RTTIUYZHGVEWJF-OAQYLSRUSA-N 1 3 358.913 4.282 20 0 FIADHO C[N@@H+]1CCC[C@@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697384 1109481792 /nfs/dbraw/zinc/48/17/92/1109481792.db2.gz RPVFLROBUOATGO-GHTZIAJQSA-N 1 3 354.519 4.197 20 0 FIADHO C[N@H+]1CCC[C@@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697384 1109481796 /nfs/dbraw/zinc/48/17/96/1109481796.db2.gz RPVFLROBUOATGO-GHTZIAJQSA-N 1 3 354.519 4.197 20 0 FIADHO COC[C@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447563481 1109582894 /nfs/dbraw/zinc/58/28/94/1109582894.db2.gz QAAAYCKXEVCNRD-XQUALCHDSA-N 1 3 364.533 4.029 20 0 FIADHO COC[C@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447563481 1109582896 /nfs/dbraw/zinc/58/28/96/1109582896.db2.gz QAAAYCKXEVCNRD-XQUALCHDSA-N 1 3 364.533 4.029 20 0 FIADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527884546 1109849550 /nfs/dbraw/zinc/84/95/50/1109849550.db2.gz GJPGSRJWIBPRIO-LLVKDONJSA-N 1 3 361.274 4.110 20 0 FIADHO C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527971032 1109871446 /nfs/dbraw/zinc/87/14/46/1109871446.db2.gz UNILYUHNZJEKBO-VGOFRKELSA-N 1 3 353.510 4.214 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000449089062 1109977831 /nfs/dbraw/zinc/97/78/31/1109977831.db2.gz IUGMLVPUVCUJIA-IGDQZBHYSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000449089062 1109977832 /nfs/dbraw/zinc/97/78/32/1109977832.db2.gz IUGMLVPUVCUJIA-IGDQZBHYSA-N 1 3 367.306 4.051 20 0 FIADHO Cc1ccccc1-c1ccccc1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000449132273 1109981844 /nfs/dbraw/zinc/98/18/44/1109981844.db2.gz TXDYTSSHKKFULO-UHFFFAOYSA-N 1 3 364.533 4.397 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@H](C)C1 ZINC000449139407 1109983940 /nfs/dbraw/zinc/98/39/40/1109983940.db2.gz KYPIRVMERINKIL-XMSQKQJNSA-N 1 3 370.537 4.075 20 0 FIADHO Cc1ccccc1-c1ccccc1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449184199 1109993905 /nfs/dbraw/zinc/99/39/05/1109993905.db2.gz DLBDBQIDDYIDGK-BJKOFHAPSA-N 1 3 364.533 4.129 20 0 FIADHO CC[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217385 1109999447 /nfs/dbraw/zinc/99/94/47/1109999447.db2.gz YVOSTITVVDSQAN-HRAATJIYSA-N 1 3 355.526 4.428 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000449478402 1110085022 /nfs/dbraw/zinc/08/50/22/1110085022.db2.gz KCKOWOICXAGURL-GPJHCHHRSA-N 1 3 368.565 4.226 20 0 FIADHO COc1ccc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)cn1 ZINC000528854471 1110135926 /nfs/dbraw/zinc/13/59/26/1110135926.db2.gz VNLIRYXNRQPCIW-QHCPKHFHSA-N 1 3 365.521 4.317 20 0 FIADHO COc1ccc([C@H](CCC(C)C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000539062214 1111408054 /nfs/dbraw/zinc/40/80/54/1111408054.db2.gz UGNXNVWVANXOIX-RJGXRXQPSA-N 1 3 374.569 4.140 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc12 ZINC000539072432 1111419253 /nfs/dbraw/zinc/41/92/53/1111419253.db2.gz RMCHPOUSTDYFHY-QRVBRYPASA-N 1 3 370.537 4.388 20 0 FIADHO C[NH+](C)CCOc1cc(CN[C@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000539217656 1111479711 /nfs/dbraw/zinc/47/97/11/1111479711.db2.gz OIHOIQOCQFHJKE-QFIPXVFZSA-N 1 3 371.500 4.182 20 0 FIADHO CSCc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000552338421 1111680133 /nfs/dbraw/zinc/68/01/33/1111680133.db2.gz FEDRTNBEAJOXPH-QGZVFWFLSA-N 1 3 358.551 4.341 20 0 FIADHO CC[N@H+](CCC1CCN([C@H](C)c2ccc(C(=O)OC)o2)CC1)CC(C)C ZINC000552858815 1111833390 /nfs/dbraw/zinc/83/33/90/1111833390.db2.gz MOIJPEWRVZXCEG-QGZVFWFLSA-N 1 3 364.530 4.207 20 0 FIADHO CC[N@@H+](CCC1CCN([C@H](C)c2ccc(C(=O)OC)o2)CC1)CC(C)C ZINC000552858815 1111833400 /nfs/dbraw/zinc/83/34/00/1111833400.db2.gz MOIJPEWRVZXCEG-QGZVFWFLSA-N 1 3 364.530 4.207 20 0 FIADHO Brc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000479072527 1111944288 /nfs/dbraw/zinc/94/42/88/1111944288.db2.gz BRSRTJXNKVEVKC-LJQANCHMSA-N 1 3 363.343 4.433 20 0 FIADHO C[NH+](C)CCC1CCN(Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000667543579 1112124600 /nfs/dbraw/zinc/12/46/00/1112124600.db2.gz DHALNKMPMKRXES-UHFFFAOYSA-N 1 3 357.473 4.177 20 0 FIADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000554087068 1112198160 /nfs/dbraw/zinc/19/81/60/1112198160.db2.gz UJDROACQUPLQJW-BHIFYINESA-N 1 3 358.570 4.330 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000480152158 1112304074 /nfs/dbraw/zinc/30/40/74/1112304074.db2.gz XQWANHDPUKLTAJ-GOSISDBHSA-N 1 3 360.546 4.087 20 0 FIADHO COc1cc([C@H](C)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369452 1112320681 /nfs/dbraw/zinc/32/06/81/1112320681.db2.gz GYHBPDIQENWHAC-LNLFQRSKSA-N 1 3 371.500 4.181 20 0 FIADHO COc1cc([C@H](C)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369452 1112320683 /nfs/dbraw/zinc/32/06/83/1112320683.db2.gz GYHBPDIQENWHAC-LNLFQRSKSA-N 1 3 371.500 4.181 20 0 FIADHO Cc1ccncc1CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000554858681 1112532978 /nfs/dbraw/zinc/53/29/78/1112532978.db2.gz UDBLIZNJJBUCAE-ZEQRLZLVSA-N 1 3 363.549 4.309 20 0 FIADHO Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000554858681 1112532983 /nfs/dbraw/zinc/53/29/83/1112532983.db2.gz UDBLIZNJJBUCAE-ZEQRLZLVSA-N 1 3 363.549 4.309 20 0 FIADHO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCN(CC)CC2)s1 ZINC000480719404 1112562017 /nfs/dbraw/zinc/56/20/17/1112562017.db2.gz XUHABVOZLZUKFB-SFHVURJKSA-N 1 3 371.594 4.299 20 0 FIADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccccc1 ZINC000480733688 1112569454 /nfs/dbraw/zinc/56/94/54/1112569454.db2.gz BIZINGXEKISCMT-QHCPKHFHSA-N 1 3 351.538 4.065 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCc3c2cccc3OC)cc1 ZINC000480730241 1112575461 /nfs/dbraw/zinc/57/54/61/1112575461.db2.gz ONUOQMDCBMSACT-QFIPXVFZSA-N 1 3 368.521 4.193 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCc3ccc(OC)cc32)cc1 ZINC000480731766 1112575557 /nfs/dbraw/zinc/57/55/57/1112575557.db2.gz XWCVAOBTNAPMQW-QHCPKHFHSA-N 1 3 368.521 4.193 20 0 FIADHO COCCOc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162911274 1113225180 /nfs/dbraw/zinc/22/51/80/1113225180.db2.gz MLQMETXWUVJKQP-LJQANCHMSA-N 1 3 368.521 4.158 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000482334315 1113227855 /nfs/dbraw/zinc/22/78/55/1113227855.db2.gz NSAZRZFUJIJXDC-VGOFRKELSA-N 1 3 371.569 4.320 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000482334315 1113227863 /nfs/dbraw/zinc/22/78/63/1113227863.db2.gz NSAZRZFUJIJXDC-VGOFRKELSA-N 1 3 371.569 4.320 20 0 FIADHO CCc1nc2c(s1)[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000162920858 1113249465 /nfs/dbraw/zinc/24/94/65/1113249465.db2.gz TZEZKVXDOFCBCW-GOSISDBHSA-N 1 3 355.551 4.469 20 0 FIADHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1OC ZINC000482433635 1113253067 /nfs/dbraw/zinc/25/30/67/1113253067.db2.gz CWKVAGBFXQDVDK-IFMALSPDSA-N 1 3 352.522 4.301 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCSc4ccccc43)C2)cc1 ZINC000482454231 1113265711 /nfs/dbraw/zinc/26/57/11/1113265711.db2.gz WZHJONFODZVXLX-CTNGQTDRSA-N 1 3 352.547 4.378 20 0 FIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000162282694 1113451314 /nfs/dbraw/zinc/45/13/14/1113451314.db2.gz WUHKDOAAPFKCEU-LJQANCHMSA-N 1 3 353.510 4.187 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000486080701 1113500601 /nfs/dbraw/zinc/50/06/01/1113500601.db2.gz LEVPPLUHSVUNRA-WDSOQIARSA-N 1 3 372.475 4.059 20 0 FIADHO COc1ccc2oc(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc2c1 ZINC000486374960 1113556158 /nfs/dbraw/zinc/55/61/58/1113556158.db2.gz MTIGZBKBAUKKQX-PKOBYXMFSA-N 1 3 364.489 4.442 20 0 FIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708756 1113627281 /nfs/dbraw/zinc/62/72/81/1113627281.db2.gz KHDXSYZFXXNAEB-HRAATJIYSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708756 1113627286 /nfs/dbraw/zinc/62/72/86/1113627286.db2.gz KHDXSYZFXXNAEB-HRAATJIYSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]1C[C@@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000486717111 1113628630 /nfs/dbraw/zinc/62/86/30/1113628630.db2.gz MZQHMMYSCUNQFB-JXFKEZNVSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@H]1C[C@@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717111 1113628633 /nfs/dbraw/zinc/62/86/33/1113628633.db2.gz MZQHMMYSCUNQFB-JXFKEZNVSA-N 1 3 351.469 4.450 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2cc(Cl)cs2)cc1 ZINC000486965392 1113684944 /nfs/dbraw/zinc/68/49/44/1113684944.db2.gz JOMUYKWPOHCQEH-UHFFFAOYSA-N 1 3 352.931 4.412 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000488051318 1113846480 /nfs/dbraw/zinc/84/64/80/1113846480.db2.gz UDEROGPBDBPLCQ-CEWLAPEOSA-N 1 3 374.956 4.099 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000488051321 1113847385 /nfs/dbraw/zinc/84/73/85/1113847385.db2.gz UDEROGPBDBPLCQ-TYPHKJRUSA-N 1 3 374.956 4.099 20 0 FIADHO CCCOc1cccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000488478391 1113936428 /nfs/dbraw/zinc/93/64/28/1113936428.db2.gz CIHLPLDDUJXEST-QFIPXVFZSA-N 1 3 352.522 4.130 20 0 FIADHO C[C@@H]1CN(Cc2ccc(C3CCCCC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490961375 1114356135 /nfs/dbraw/zinc/35/61/35/1114356135.db2.gz BRHDVZLQKYXIAV-YKSBVNFPSA-N 1 3 369.597 4.192 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000571466595 1114466262 /nfs/dbraw/zinc/46/62/62/1114466262.db2.gz BTYAFUDKVIUIDA-MSOLQXFVSA-N 1 3 353.510 4.315 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000571466595 1114466263 /nfs/dbraw/zinc/46/62/63/1114466263.db2.gz BTYAFUDKVIUIDA-MSOLQXFVSA-N 1 3 353.510 4.315 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000572945917 1114943211 /nfs/dbraw/zinc/94/32/11/1114943211.db2.gz OVXKOJWSHHJPAK-UHFFFAOYSA-N 1 3 362.876 4.242 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1)CC(C)C ZINC000573249274 1115086319 /nfs/dbraw/zinc/08/63/19/1115086319.db2.gz CCWANXVSYQSCGG-UHFFFAOYSA-N 1 3 374.495 4.025 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1)CC(C)C ZINC000573249274 1115086324 /nfs/dbraw/zinc/08/63/24/1115086324.db2.gz CCWANXVSYQSCGG-UHFFFAOYSA-N 1 3 374.495 4.025 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Br)cn1 ZINC000574811644 1115497148 /nfs/dbraw/zinc/49/71/48/1115497148.db2.gz LSQUIZZYCPZDLZ-LSDHHAIUSA-N 1 3 354.336 4.007 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(Br)cn1 ZINC000574811644 1115497149 /nfs/dbraw/zinc/49/71/49/1115497149.db2.gz LSQUIZZYCPZDLZ-LSDHHAIUSA-N 1 3 354.336 4.007 20 0 FIADHO CN1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982729 1115775370 /nfs/dbraw/zinc/77/53/70/1115775370.db2.gz YRRRQVYFWIHYPG-IPELMVKDSA-N 1 3 358.526 4.019 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514029 1116356794 /nfs/dbraw/zinc/35/67/94/1116356794.db2.gz OEUDNMIWEYKUFT-ICSRJNTNSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514029 1116356796 /nfs/dbraw/zinc/35/67/96/1116356796.db2.gz OEUDNMIWEYKUFT-ICSRJNTNSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc(F)cc1C[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000462799219 1117769724 /nfs/dbraw/zinc/76/97/24/1117769724.db2.gz XBTWBXXWNMQBJB-UHFFFAOYSA-N 1 3 368.452 4.349 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000540170498 1117913026 /nfs/dbraw/zinc/91/30/26/1117913026.db2.gz ITRZJMXBZFVSLQ-OAGGEKHMSA-N 1 3 358.448 4.245 20 0 FIADHO Clc1ccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463065283 1117948860 /nfs/dbraw/zinc/94/88/60/1117948860.db2.gz PYVNBFHULMNGSI-UHFFFAOYSA-N 1 3 358.913 4.016 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000463074797 1117958846 /nfs/dbraw/zinc/95/88/46/1117958846.db2.gz IZJFYACBMKLKRG-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000463074797 1117958848 /nfs/dbraw/zinc/95/88/48/1117958848.db2.gz IZJFYACBMKLKRG-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H](COc1ccc(F)cc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463077534 1117959857 /nfs/dbraw/zinc/95/98/57/1117959857.db2.gz JMQJROKVFSIEFN-QGZVFWFLSA-N 1 3 374.475 4.029 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CCN1Cc1ccccc1 ZINC000463083734 1117965582 /nfs/dbraw/zinc/96/55/82/1117965582.db2.gz LTTKEFGNQBZSRI-YSZBQJHXSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083734 1117965585 /nfs/dbraw/zinc/96/55/85/1117965585.db2.gz LTTKEFGNQBZSRI-YSZBQJHXSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083734 1117965587 /nfs/dbraw/zinc/96/55/87/1117965587.db2.gz LTTKEFGNQBZSRI-YSZBQJHXSA-N 1 3 369.528 4.071 20 0 FIADHO CC(C)[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000540315367 1117980372 /nfs/dbraw/zinc/98/03/72/1117980372.db2.gz DNGUCWMFJDQNOR-AQNXPRMDSA-N 1 3 350.934 4.005 20 0 FIADHO C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Oc1ccccc1Cl ZINC000463189690 1118007660 /nfs/dbraw/zinc/00/76/60/1118007660.db2.gz JVKKYLQAYPROPI-GOSISDBHSA-N 1 3 372.940 4.404 20 0 FIADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394209 1118028070 /nfs/dbraw/zinc/02/80/70/1118028070.db2.gz IZUOSPRGEGLDIJ-FGTMMUONSA-N 1 3 373.566 4.003 20 0 FIADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394209 1118028077 /nfs/dbraw/zinc/02/80/77/1118028077.db2.gz IZUOSPRGEGLDIJ-FGTMMUONSA-N 1 3 373.566 4.003 20 0 FIADHO CC(C)[NH+](CCCNC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000463203242 1118032086 /nfs/dbraw/zinc/03/20/86/1118032086.db2.gz FADAUQRPPXXQAE-UHFFFAOYSA-N 1 3 365.993 4.403 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251293 1118060876 /nfs/dbraw/zinc/06/08/76/1118060876.db2.gz CZEDDWIOJVOGTB-UEVCKROQSA-N 1 3 352.522 4.407 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251293 1118060879 /nfs/dbraw/zinc/06/08/79/1118060879.db2.gz CZEDDWIOJVOGTB-UEVCKROQSA-N 1 3 352.522 4.407 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccccc1O2 ZINC000540491579 1118090751 /nfs/dbraw/zinc/09/07/51/1118090751.db2.gz FBPASDMLHHWQHO-HJNYFJLDSA-N 1 3 362.517 4.195 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658653 1118177701 /nfs/dbraw/zinc/17/77/01/1118177701.db2.gz PTPJRFYWFZNSJX-VIZSFHNOSA-N 1 3 370.537 4.487 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000541914738 1118699113 /nfs/dbraw/zinc/69/91/13/1118699113.db2.gz IXBJQEQHXFUOIN-JXXFODFXSA-N 1 3 354.485 4.141 20 0 FIADHO Cc1ccccc1OCCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845138 1118718692 /nfs/dbraw/zinc/71/86/92/1118718692.db2.gz DBUDZBVTNPENLR-QFIPXVFZSA-N 1 3 352.522 4.218 20 0 FIADHO Cc1ccccc1OCCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845138 1118718696 /nfs/dbraw/zinc/71/86/96/1118718696.db2.gz DBUDZBVTNPENLR-QFIPXVFZSA-N 1 3 352.522 4.218 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311890646 1119393631 /nfs/dbraw/zinc/39/36/31/1119393631.db2.gz DEAUDQNNPMULBG-CVDCTZTESA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890646 1119393636 /nfs/dbraw/zinc/39/36/36/1119393636.db2.gz DEAUDQNNPMULBG-CVDCTZTESA-N 1 3 350.506 4.184 20 0 FIADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000312112553 1119402221 /nfs/dbraw/zinc/40/22/21/1119402221.db2.gz NBTSMUCCBCCROV-CBPXPLCBSA-N 1 3 356.554 4.082 20 0 FIADHO c1ccc(N2CC[C@H](C[NH2+]C3CCN(CC4CCCCC4)CC3)C2)cc1 ZINC000152543164 1119446135 /nfs/dbraw/zinc/44/61/35/1119446135.db2.gz GOPQCYUGKLMALZ-OAQYLSRUSA-N 1 3 355.570 4.147 20 0 FIADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000195133119 1120120762 /nfs/dbraw/zinc/12/07/62/1120120762.db2.gz DNRGUGFLOCQUIM-SIKLNZKXSA-N 1 3 366.505 4.021 20 0 FIADHO CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000494921800 1120380172 /nfs/dbraw/zinc/38/01/72/1120380172.db2.gz HTJUJMVGVYREGL-FQEVSTJZSA-N 1 3 356.485 4.178 20 0 FIADHO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000494921800 1120380178 /nfs/dbraw/zinc/38/01/78/1120380178.db2.gz HTJUJMVGVYREGL-FQEVSTJZSA-N 1 3 356.485 4.178 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000494925216 1120381699 /nfs/dbraw/zinc/38/16/99/1120381699.db2.gz XBFSSUXTSOHFOS-SFHVURJKSA-N 1 3 367.537 4.081 20 0 FIADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(Cl)cs1 ZINC000494978608 1120417584 /nfs/dbraw/zinc/41/75/84/1120417584.db2.gz KDGJDDNUBNIWGG-UHFFFAOYSA-N 1 3 370.006 4.030 20 0 FIADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495105409 1120476983 /nfs/dbraw/zinc/47/69/83/1120476983.db2.gz BRMCMPBXMWGHLH-UTKZUKDTSA-N 1 3 368.569 4.255 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762738589 1120956736 /nfs/dbraw/zinc/95/67/36/1120956736.db2.gz UWSCJGLFGBPKQJ-KGLIPLIRSA-N 1 3 372.326 4.146 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762738589 1120956738 /nfs/dbraw/zinc/95/67/38/1120956738.db2.gz UWSCJGLFGBPKQJ-KGLIPLIRSA-N 1 3 372.326 4.146 20 0 FIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC[C@H]3CCCN3C)s2)cc1 ZINC000542572385 1120965703 /nfs/dbraw/zinc/96/57/03/1120965703.db2.gz FBUZOMGFDGSVND-WMLDXEAASA-N 1 3 359.539 4.262 20 0 FIADHO CCn1nc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000397975923 1121328920 /nfs/dbraw/zinc/32/89/20/1121328920.db2.gz KRCYHZZZQAQQDU-RXVVDRJESA-N 1 3 362.521 4.056 20 0 FIADHO CCOc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1OCC ZINC000123721008 1121625892 /nfs/dbraw/zinc/62/58/92/1121625892.db2.gz ILAUSJWVWVIDKE-QGZVFWFLSA-N 1 3 356.510 4.396 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739911 1121635759 /nfs/dbraw/zinc/63/57/59/1121635759.db2.gz COYLBAWUPHPIRA-INIZCTEOSA-N 1 3 365.477 4.370 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671739803 1121637583 /nfs/dbraw/zinc/63/75/83/1121637583.db2.gz XIGOYGCOYHBUFG-HNNXBMFYSA-N 1 3 353.466 4.226 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741191 1121640101 /nfs/dbraw/zinc/64/01/01/1121640101.db2.gz MGZDQCBWKCNRDH-OAHLLOKOSA-N 1 3 353.466 4.224 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741191 1121640106 /nfs/dbraw/zinc/64/01/06/1121640106.db2.gz MGZDQCBWKCNRDH-OAHLLOKOSA-N 1 3 353.466 4.224 20 0 FIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749989 1121709101 /nfs/dbraw/zinc/70/91/01/1121709101.db2.gz CXBNJNLGQMZSSE-BXWFABGCSA-N 1 3 365.477 4.095 20 0 FIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749989 1121709106 /nfs/dbraw/zinc/70/91/06/1121709106.db2.gz CXBNJNLGQMZSSE-BXWFABGCSA-N 1 3 365.477 4.095 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749991 1121709636 /nfs/dbraw/zinc/70/96/36/1121709636.db2.gz CXBNJNLGQMZSSE-JTDSTZFVSA-N 1 3 365.477 4.095 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749991 1121709643 /nfs/dbraw/zinc/70/96/43/1121709643.db2.gz CXBNJNLGQMZSSE-JTDSTZFVSA-N 1 3 365.477 4.095 20 0 FIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126185224 1121930675 /nfs/dbraw/zinc/93/06/75/1121930675.db2.gz FZZPHGWCKHZKED-XXBNENTESA-N 1 3 374.532 4.028 20 0 FIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126185224 1121930679 /nfs/dbraw/zinc/93/06/79/1121930679.db2.gz FZZPHGWCKHZKED-XXBNENTESA-N 1 3 374.532 4.028 20 0 FIADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCO2 ZINC000126710073 1121978623 /nfs/dbraw/zinc/97/86/23/1121978623.db2.gz HFOBAWUCHLIZMF-XMSQKQJNSA-N 1 3 372.553 4.114 20 0 FIADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497867177 1122453248 /nfs/dbraw/zinc/45/32/48/1122453248.db2.gz INCDKBFVPDUZLO-UTKZUKDTSA-N 1 3 357.542 4.136 20 0 FIADHO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231509 1122749117 /nfs/dbraw/zinc/74/91/17/1122749117.db2.gz WFPYVTVTSFAHED-IRLDBZIGSA-N 1 3 358.570 4.330 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868734 1123149821 /nfs/dbraw/zinc/14/98/21/1123149821.db2.gz BTXXJEGSSDPJQC-KBXCAEBGSA-N 1 3 356.432 4.358 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868734 1123149822 /nfs/dbraw/zinc/14/98/22/1123149822.db2.gz BTXXJEGSSDPJQC-KBXCAEBGSA-N 1 3 356.432 4.358 20 0 FIADHO C[C@H](CCN(C)C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237447083 1123631205 /nfs/dbraw/zinc/63/12/05/1123631205.db2.gz MRFDVIZLHGCYMK-OAHLLOKOSA-N 1 3 359.901 4.022 20 0 FIADHO CC[NH+](CC)Cc1cccc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000245651653 1124167518 /nfs/dbraw/zinc/16/75/18/1124167518.db2.gz BHXQWEUJMWDECT-XXBNENTESA-N 1 3 366.553 4.246 20 0 FIADHO COCc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1F ZINC000245769861 1124246285 /nfs/dbraw/zinc/24/62/85/1124246285.db2.gz XABLBCUBMJHQEH-DKUWSORSSA-N 1 3 368.496 4.257 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000542846556 1124442575 /nfs/dbraw/zinc/44/25/75/1124442575.db2.gz MMANULMQIAYGLM-XMSQKQJNSA-N 1 3 370.512 4.250 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000542846556 1124442582 /nfs/dbraw/zinc/44/25/82/1124442582.db2.gz MMANULMQIAYGLM-XMSQKQJNSA-N 1 3 370.512 4.250 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000246916805 1124573163 /nfs/dbraw/zinc/57/31/63/1124573163.db2.gz GCCWQQHCIPLPHZ-HSALFYBXSA-N 1 3 367.537 4.289 20 0 FIADHO CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000247018959 1124582722 /nfs/dbraw/zinc/58/27/22/1124582722.db2.gz LRXCPYHSDMVZSG-PKOBYXMFSA-N 1 3 369.509 4.235 20 0 FIADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000249255950 1124851644 /nfs/dbraw/zinc/85/16/44/1124851644.db2.gz GNCKJSMCLYBNJU-GUDVDZBRSA-N 1 3 354.460 4.262 20 0 FIADHO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000089703435 1124929283 /nfs/dbraw/zinc/92/92/83/1124929283.db2.gz UVBAYVYRNFTYPJ-ORAYPTAESA-N 1 3 369.336 4.071 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1C(F)(F)F ZINC000090523097 1125001966 /nfs/dbraw/zinc/00/19/66/1125001966.db2.gz FHMQJSWLOZRFBD-JVPBZIDWSA-N 1 3 370.459 4.124 20 0 FIADHO COc1ccc([C@@H](NCc2ccccc2OCC[NH+](C)C)C(C)C)cc1 ZINC000091312904 1125065042 /nfs/dbraw/zinc/06/50/42/1125065042.db2.gz UVIAYBQVUWWAJP-QFIPXVFZSA-N 1 3 356.510 4.123 20 0 FIADHO COc1ccccc1[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000091343537 1125067062 /nfs/dbraw/zinc/06/70/62/1125067062.db2.gz HWIHFHSBTVYVNV-MBSDFSHPSA-N 1 3 372.553 4.017 20 0 FIADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1CN1CCCCC1 ZINC000182202401 1125287961 /nfs/dbraw/zinc/28/79/61/1125287961.db2.gz ZISFSSTZXPVSPW-AVRDEDQJSA-N 1 3 368.521 4.065 20 0 FIADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000521431714 568047709 /nfs/dbraw/zinc/04/77/09/568047709.db2.gz MSWXIJIEHAMRBR-LJQANCHMSA-N 1 3 365.606 4.000 20 0 FIADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000521431714 568047712 /nfs/dbraw/zinc/04/77/12/568047712.db2.gz MSWXIJIEHAMRBR-LJQANCHMSA-N 1 3 365.606 4.000 20 0 FIADHO CCOc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000152750996 1125643520 /nfs/dbraw/zinc/64/35/20/1125643520.db2.gz AJZDSHXRWOFNLB-INIZCTEOSA-N 1 3 360.473 4.016 20 0 FIADHO COc1cccc(-c2csc(CNCCCC[NH+]3CCC(C)CC3)n2)c1 ZINC001648813865 1081215593 /nfs/dbraw/zinc/21/55/93/1081215593.db2.gz CPORDOKNRGUTLL-UHFFFAOYSA-N 1 3 373.566 4.420 20 0 FIADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353575 1081878063 /nfs/dbraw/zinc/87/80/63/1081878063.db2.gz KIBRCJUFMSCEBM-DYESRHJHSA-N 1 3 353.466 4.158 20 0 FIADHO Cc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483652 1081970522 /nfs/dbraw/zinc/97/05/22/1081970522.db2.gz OPBCYJSMHOUWQX-FPOVZHCZSA-N 1 3 351.494 4.098 20 0 FIADHO Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483652 1081970524 /nfs/dbraw/zinc/97/05/24/1081970524.db2.gz OPBCYJSMHOUWQX-FPOVZHCZSA-N 1 3 351.494 4.098 20 0 FIADHO COc1ccsc1[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000471613949 1082098447 /nfs/dbraw/zinc/09/84/47/1082098447.db2.gz SRKXUHDMKNVTQW-GOSISDBHSA-N 1 3 373.566 4.010 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N1CCCCCC1 ZINC000510389115 1082470523 /nfs/dbraw/zinc/47/05/23/1082470523.db2.gz NUKMAMBTSNPFIZ-RTBURBONSA-N 1 3 357.542 4.122 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1CCCCCC1 ZINC000510389115 1082470526 /nfs/dbraw/zinc/47/05/26/1082470526.db2.gz NUKMAMBTSNPFIZ-RTBURBONSA-N 1 3 357.542 4.122 20 0 FIADHO CCOCc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000581574977 1082672159 /nfs/dbraw/zinc/67/21/59/1082672159.db2.gz WQRRPOGTESFBRC-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574977 1082672160 /nfs/dbraw/zinc/67/21/60/1082672160.db2.gz WQRRPOGTESFBRC-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000581574977 1082672162 /nfs/dbraw/zinc/67/21/62/1082672162.db2.gz WQRRPOGTESFBRC-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO C[C@@H]1C[C@H](NC[C@@]2(C)OCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000581755901 1082872423 /nfs/dbraw/zinc/87/24/23/1082872423.db2.gz KRLPLTAAIWRVSC-SFGWALBWSA-N 1 3 370.562 4.179 20 0 FIADHO C[C@@H]1C[C@H](NC[C@@]2(C)OCCc3sccc32)CC[N@H+]1Cc1ccccc1 ZINC000581755901 1082872429 /nfs/dbraw/zinc/87/24/29/1082872429.db2.gz KRLPLTAAIWRVSC-SFGWALBWSA-N 1 3 370.562 4.179 20 0 FIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccccc3OC(F)F)CC2)C1 ZINC000471781749 1082983591 /nfs/dbraw/zinc/98/35/91/1082983591.db2.gz RJKYSDFLFMYQJB-LPHOPBHVSA-N 1 3 366.496 4.463 20 0 FIADHO Cc1ncc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000658319515 1083407083 /nfs/dbraw/zinc/40/70/83/1083407083.db2.gz DSRAMHYCPDJCHQ-LPHOPBHVSA-N 1 3 355.551 4.404 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320350 1083407918 /nfs/dbraw/zinc/40/79/18/1083407918.db2.gz SPAGBBHRCUASOG-CVDCTZTESA-N 1 3 364.533 4.132 20 0 FIADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320350 1083407925 /nfs/dbraw/zinc/40/79/25/1083407925.db2.gz SPAGBBHRCUASOG-CVDCTZTESA-N 1 3 364.533 4.132 20 0 FIADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320350 1083407930 /nfs/dbraw/zinc/40/79/30/1083407930.db2.gz SPAGBBHRCUASOG-CVDCTZTESA-N 1 3 364.533 4.132 20 0 FIADHO CC(C)(C)OC(=O)C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000092564398 1083438415 /nfs/dbraw/zinc/43/84/15/1083438415.db2.gz KKBMCHHXCHDBCK-UHFFFAOYSA-N 1 3 364.574 4.131 20 0 FIADHO Cc1ccncc1CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000581995698 1083444055 /nfs/dbraw/zinc/44/40/55/1083444055.db2.gz WFKGUMYLWPNVGQ-XMMPIXPASA-N 1 3 363.549 4.311 20 0 FIADHO Cc1ccncc1CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000581995698 1083444059 /nfs/dbraw/zinc/44/40/59/1083444059.db2.gz WFKGUMYLWPNVGQ-XMMPIXPASA-N 1 3 363.549 4.311 20 0 FIADHO CC(C)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000236701472 1083929178 /nfs/dbraw/zinc/92/91/78/1083929178.db2.gz DPGPAOMACFADHZ-UHFFFAOYSA-N 1 3 356.485 4.325 20 0 FIADHO FC(F)(F)CCC[N@H+]1CC[C@H]2C[NH+](Cc3occc3[S-])C[C@H]2CC1 ZINC001279692843 1084092781 /nfs/dbraw/zinc/09/27/81/1084092781.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 1 3 362.461 4.055 20 0 FIADHO FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3occc3[S-])C[C@H]2CC1 ZINC001279692843 1084092800 /nfs/dbraw/zinc/09/28/00/1084092800.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 1 3 362.461 4.055 20 0 FIADHO FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3occc3[S-])C[C@H]2CC1 ZINC001279692843 1084092810 /nfs/dbraw/zinc/09/28/10/1084092810.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 1 3 362.461 4.055 20 0 FIADHO FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3occc3[S-])C[C@H]2CC1 ZINC001279692843 1084092822 /nfs/dbraw/zinc/09/28/22/1084092822.db2.gz NHWNNTLNXFRMLN-OKILXGFUSA-N 1 3 362.461 4.055 20 0 FIADHO Cc1ccc2[nH]c(CNCc3ccc(OCCC[NH+](C)C)cc3)cc2c1C ZINC000472080825 1084264236 /nfs/dbraw/zinc/26/42/36/1084264236.db2.gz UDXSWEVHUPKXFP-UHFFFAOYSA-N 1 3 365.521 4.405 20 0 FIADHO CC(C)[NH+]1CCC(N2CCN(CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000685839492 1084316540 /nfs/dbraw/zinc/31/65/40/1084316540.db2.gz DRNRDUPGZBIBHU-UHFFFAOYSA-N 1 3 371.613 4.017 20 0 FIADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](CCO)c1ccccc1 ZINC001167544464 1084548450 /nfs/dbraw/zinc/54/84/50/1084548450.db2.gz NQWXCQPPRGIIRP-HSZRJFAPSA-N 1 3 352.522 4.228 20 0 FIADHO Cc1cccc2[nH]c(CNCc3ccc(OCC[NH+]4CCCC4)cc3)cc21 ZINC000657356184 1084706205 /nfs/dbraw/zinc/70/62/05/1084706205.db2.gz CSXNSFIOLDHHPX-UHFFFAOYSA-N 1 3 363.505 4.241 20 0 FIADHO COCc1csc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373944 1084795004 /nfs/dbraw/zinc/79/50/04/1084795004.db2.gz AZDUGIDHGSKEMT-YJBOKZPZSA-N 1 3 350.553 4.129 20 0 FIADHO COCc1csc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373944 1084795011 /nfs/dbraw/zinc/79/50/11/1084795011.db2.gz AZDUGIDHGSKEMT-YJBOKZPZSA-N 1 3 350.553 4.129 20 0 FIADHO Fc1cccc(CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001167559093 1084818687 /nfs/dbraw/zinc/81/86/87/1084818687.db2.gz XGAOFVILMYMYET-HSZRJFAPSA-N 1 3 352.497 4.356 20 0 FIADHO Fc1cccc(CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001167559093 1084818694 /nfs/dbraw/zinc/81/86/94/1084818694.db2.gz XGAOFVILMYMYET-HSZRJFAPSA-N 1 3 352.497 4.356 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000582313628 1084858774 /nfs/dbraw/zinc/85/87/74/1084858774.db2.gz JXJNYJAVJNWJJT-AWEZNQCLSA-N 1 3 362.315 4.002 20 0 FIADHO CC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000414298265 1084991782 /nfs/dbraw/zinc/99/17/82/1084991782.db2.gz GWMUAHPQOVOLSW-NRFANRHFSA-N 1 3 374.475 4.033 20 0 FIADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cccc(C3CCCC3)c2)C1 ZINC000657431179 1085010717 /nfs/dbraw/zinc/01/07/17/1085010717.db2.gz YAJJEAYNPUURIE-XMMPIXPASA-N 1 3 364.533 4.201 20 0 FIADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc(C3CCCC3)c2)C1 ZINC000657431179 1085010725 /nfs/dbraw/zinc/01/07/25/1085010725.db2.gz YAJJEAYNPUURIE-XMMPIXPASA-N 1 3 364.533 4.201 20 0 FIADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652137274 1085181997 /nfs/dbraw/zinc/18/19/97/1085181997.db2.gz FFZXXEIQMPTXAF-LJQANCHMSA-N 1 3 372.509 4.015 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)C[C@@H](C)O1 ZINC000432229681 1085690931 /nfs/dbraw/zinc/69/09/31/1085690931.db2.gz TXCRPMJIDSNDOH-CHWSQXEVSA-N 1 3 363.304 4.112 20 0 FIADHO CC(C)[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000657612913 1085697480 /nfs/dbraw/zinc/69/74/80/1085697480.db2.gz FBYZDVVZDHAQRF-HSZRJFAPSA-N 1 3 351.538 4.323 20 0 FIADHO CCCCOc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612919 1085697499 /nfs/dbraw/zinc/69/74/99/1085697499.db2.gz FFSBOGCOLNNKPQ-UHFFFAOYSA-N 1 3 367.537 4.262 20 0 FIADHO Brc1cccc(C2(NCc3cccc4c3CC[NH2+]C4)CCC2)c1 ZINC000662258138 1086380026 /nfs/dbraw/zinc/38/00/26/1086380026.db2.gz INLCLDIPJVGFHR-UHFFFAOYSA-N 1 3 371.322 4.264 20 0 FIADHO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295718 1086399062 /nfs/dbraw/zinc/39/90/62/1086399062.db2.gz HYEVVSGHLTXEBF-YOEHRIQHSA-N 1 3 374.916 4.163 20 0 FIADHO Clc1cccc(-c2cnc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662295143 1086400050 /nfs/dbraw/zinc/40/00/50/1086400050.db2.gz TWTWWPBVFAGCIL-QGZVFWFLSA-N 1 3 359.901 4.207 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080338786 1086675489 /nfs/dbraw/zinc/67/54/89/1086675489.db2.gz UCPFJBOKVJZOSK-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080338786 1086675497 /nfs/dbraw/zinc/67/54/97/1086675497.db2.gz UCPFJBOKVJZOSK-SIKLNZKXSA-N 1 3 360.505 4.015 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000650722533 1086818554 /nfs/dbraw/zinc/81/85/54/1086818554.db2.gz WBTIGQRMYLKIHT-NSISKUIASA-N 1 3 374.525 4.415 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773402 1086833402 /nfs/dbraw/zinc/83/34/02/1086833402.db2.gz RIDPVZYOPUJODQ-FXAWDEMLSA-N 1 3 353.485 4.174 20 0 FIADHO CC(C)C(C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000583644326 1086892996 /nfs/dbraw/zinc/89/29/96/1086892996.db2.gz YUQQGXFCUBCEFA-QFIPXVFZSA-N 1 3 372.597 4.433 20 0 FIADHO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000583663669 1086907340 /nfs/dbraw/zinc/90/73/40/1086907340.db2.gz QEXOWUIFHAMUMQ-IRLDBZIGSA-N 1 3 368.569 4.287 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1cc(Br)cc2F ZINC000650757946 1086972778 /nfs/dbraw/zinc/97/27/78/1086972778.db2.gz FHALVECLZZRAJK-SFHVURJKSA-N 1 3 363.274 4.085 20 0 FIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCc2nc3ccccc3n2C)CC1 ZINC000090050258 1087401487 /nfs/dbraw/zinc/40/14/87/1087401487.db2.gz VRGQPLYWPORKMW-WIYYLYMNSA-N 1 3 368.569 4.139 20 0 FIADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(C)c1F ZINC000658164489 1087759937 /nfs/dbraw/zinc/75/99/37/1087759937.db2.gz DTNHLIUVOUIUSP-GOSISDBHSA-N 1 3 355.501 4.400 20 0 FIADHO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166415 1087761507 /nfs/dbraw/zinc/76/15/07/1087761507.db2.gz UZAIBWVBWIWACC-MRXNPFEDSA-N 1 3 373.928 4.306 20 0 FIADHO COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166411 1087762327 /nfs/dbraw/zinc/76/23/27/1087762327.db2.gz UZAIBWVBWIWACC-INIZCTEOSA-N 1 3 373.928 4.306 20 0 FIADHO CSc1ccccc1C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168427 1087763895 /nfs/dbraw/zinc/76/38/95/1087763895.db2.gz XBYGMFXFYIBGOD-GOSISDBHSA-N 1 3 369.578 4.236 20 0 FIADHO Cc1ccccc1C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658167750 1087765301 /nfs/dbraw/zinc/76/53/01/1087765301.db2.gz UCEVDZVJBBNKFV-DEOSSOPVSA-N 1 3 363.549 4.213 20 0 FIADHO [NH3+]CCC[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000415048935 1089085447 /nfs/dbraw/zinc/08/54/47/1089085447.db2.gz GQYPWEUBJJBPRL-SFHVURJKSA-N 1 3 360.885 4.071 20 0 FIADHO COc1cccc([C@@H](NC2CCC(C[NH3+])CC2)c2cc(F)ccc2OC)c1 ZINC000415077555 1089126013 /nfs/dbraw/zinc/12/60/13/1089126013.db2.gz FLJMWGFULAIYSD-IVMBPFOVSA-N 1 3 372.484 4.039 20 0 FIADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415090456 1089142105 /nfs/dbraw/zinc/14/21/05/1089142105.db2.gz OUZSMHLPZFZJHE-VXKWHMMOSA-N 1 3 360.505 4.072 20 0 FIADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccc4)cc3F)CC2)C1 ZINC000415122057 1089184917 /nfs/dbraw/zinc/18/49/17/1089184917.db2.gz JIQTXVFHZFMEBC-GGAORHGYSA-N 1 3 368.496 4.211 20 0 FIADHO CO[C@H](CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000549392956 1090018927 /nfs/dbraw/zinc/01/89/27/1090018927.db2.gz FUBBJGNKRPTJHF-WOIUINJBSA-N 1 3 352.522 4.120 20 0 FIADHO C[C@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124449 1091052504 /nfs/dbraw/zinc/05/25/04/1091052504.db2.gz NSNYGCLCRVTKBK-NVXWUHKLSA-N 1 3 354.460 4.473 20 0 FIADHO C[C@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500124449 1091052513 /nfs/dbraw/zinc/05/25/13/1091052513.db2.gz NSNYGCLCRVTKBK-NVXWUHKLSA-N 1 3 354.460 4.473 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000512222641 1091928749 /nfs/dbraw/zinc/92/87/49/1091928749.db2.gz VFRCILFUDGLBFN-GOSISDBHSA-N 1 3 365.521 4.375 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000512222641 1091928752 /nfs/dbraw/zinc/92/87/52/1091928752.db2.gz VFRCILFUDGLBFN-GOSISDBHSA-N 1 3 365.521 4.375 20 0 FIADHO CC(C)(C)OC(=O)CCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512258510 1091973823 /nfs/dbraw/zinc/97/38/23/1091973823.db2.gz FUHBFKJNHMMQJM-HSZRJFAPSA-N 1 3 372.553 4.096 20 0 FIADHO CC(C)(C)OC(=O)CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512258510 1091973826 /nfs/dbraw/zinc/97/38/26/1091973826.db2.gz FUHBFKJNHMMQJM-HSZRJFAPSA-N 1 3 372.553 4.096 20 0 FIADHO COc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1OC ZINC000500564072 1092232518 /nfs/dbraw/zinc/23/25/18/1092232518.db2.gz YVZFTFVVJJYUSY-HOTGVXAUSA-N 1 3 368.949 4.205 20 0 FIADHO C[C@@H]1CC([NH2+]CCN(C)Cc2ccccc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012504 1092338709 /nfs/dbraw/zinc/33/87/09/1092338709.db2.gz BCRBKECNTXGBTO-NHCUHLMSSA-N 1 3 365.565 4.150 20 0 FIADHO CN(CCCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754042 1092756142 /nfs/dbraw/zinc/75/61/42/1092756142.db2.gz HMNYVHFGSSBUNL-SJPCQFCGSA-N 1 3 356.432 4.079 20 0 FIADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000442861130 1092802926 /nfs/dbraw/zinc/80/29/26/1092802926.db2.gz CZCLFKMHOFOAMQ-IBGZPJMESA-N 1 3 367.537 4.156 20 0 FIADHO COCCC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865497 1092812257 /nfs/dbraw/zinc/81/22/57/1092812257.db2.gz UCMCIGGDJAAAAT-NFBKMPQASA-N 1 3 370.512 4.405 20 0 FIADHO COCCC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865497 1092812265 /nfs/dbraw/zinc/81/22/65/1092812265.db2.gz UCMCIGGDJAAAAT-NFBKMPQASA-N 1 3 370.512 4.405 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168020361 1093213988 /nfs/dbraw/zinc/21/39/88/1093213988.db2.gz MRBJFYRHVJPWEJ-HATOLVCRSA-N 1 3 355.570 4.035 20 0 FIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(CO)CC(c4ccccc4)C3)CC2)C1 ZINC000433094076 1093240948 /nfs/dbraw/zinc/24/09/48/1093240948.db2.gz TXUPQOAJYVMKOG-BXDDPRONSA-N 1 3 370.581 4.175 20 0 FIADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000522337712 1093340235 /nfs/dbraw/zinc/34/02/35/1093340235.db2.gz VLJBDDZCYBOUIM-UHFFFAOYSA-N 1 3 372.557 4.059 20 0 FIADHO C[C@@H]1CC(N[C@@H]2CCc3ccccc3[C@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023859 1093368115 /nfs/dbraw/zinc/36/81/15/1093368115.db2.gz YLNJTDWMRZWJHR-MCJPXMOYSA-N 1 3 364.533 4.066 20 0 FIADHO COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000513335574 1094071202 /nfs/dbraw/zinc/07/12/02/1094071202.db2.gz IBAXGTAYVQPJHT-LJQANCHMSA-N 1 3 358.913 4.303 20 0 FIADHO COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000513335574 1094071207 /nfs/dbraw/zinc/07/12/07/1094071207.db2.gz IBAXGTAYVQPJHT-LJQANCHMSA-N 1 3 358.913 4.303 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000501024321 1094441546 /nfs/dbraw/zinc/44/15/46/1094441546.db2.gz PEZANWNVCGDRQG-DEOSSOPVSA-N 1 3 371.613 4.280 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000501024321 1094441556 /nfs/dbraw/zinc/44/15/56/1094441556.db2.gz PEZANWNVCGDRQG-DEOSSOPVSA-N 1 3 371.613 4.280 20 0 FIADHO Cc1c2ccccc2oc1[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC000501049328 1094455941 /nfs/dbraw/zinc/45/59/41/1094455941.db2.gz BPLWJBDSYDGEMA-JOCHJYFZSA-N 1 3 371.569 4.444 20 0 FIADHO CCOC(=O)C[C@@H]1CCCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168039986 1094482214 /nfs/dbraw/zinc/48/22/14/1094482214.db2.gz JJSUWNLTJYZJFD-SBHAEUEKSA-N 1 3 372.553 4.093 20 0 FIADHO CCOC(=O)C[C@H]1CCCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039985 1094482688 /nfs/dbraw/zinc/48/26/88/1094482688.db2.gz JJSUWNLTJYZJFD-NPDDRXJXSA-N 1 3 372.553 4.093 20 0 FIADHO CCOC(=O)C[C@H]1CCCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039985 1094482698 /nfs/dbraw/zinc/48/26/98/1094482698.db2.gz JJSUWNLTJYZJFD-NPDDRXJXSA-N 1 3 372.553 4.093 20 0 FIADHO Cc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420330805 1094891008 /nfs/dbraw/zinc/89/10/08/1094891008.db2.gz CACUKDIABYKSOK-HXUWFJFHSA-N 1 3 370.928 4.069 20 0 FIADHO Cc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420330804 1094891412 /nfs/dbraw/zinc/89/14/12/1094891412.db2.gz CACUKDIABYKSOK-FQEVSTJZSA-N 1 3 370.928 4.069 20 0 FIADHO [NH3+]C[C@@H](NCCOC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000420381721 1094906107 /nfs/dbraw/zinc/90/61/07/1094906107.db2.gz ZHWICZUUOMRNKE-JOCHJYFZSA-N 1 3 352.522 4.290 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1OC ZINC000474923471 1094924544 /nfs/dbraw/zinc/92/45/44/1094924544.db2.gz GABBJTKOLCPADY-RMJJICAUSA-N 1 3 374.569 4.438 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000467304488 1096182294 /nfs/dbraw/zinc/18/22/94/1096182294.db2.gz FSKIBAZXOGLLSJ-OAQYLSRUSA-N 1 3 356.485 4.453 20 0 FIADHO CN(Cc1cc(-c2ccccc2)on1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000503190399 1096299955 /nfs/dbraw/zinc/29/99/55/1096299955.db2.gz AAVBCHNQWWDFAI-UHFFFAOYSA-N 1 3 362.477 4.085 20 0 FIADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000414663883 1096376052 /nfs/dbraw/zinc/37/60/52/1096376052.db2.gz SEDVPKAIYSUEGC-OALUTQOASA-N 1 3 360.505 4.017 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cnccc1N ZINC000422733561 1096465627 /nfs/dbraw/zinc/46/56/27/1096465627.db2.gz RDXZPDSHKWDGIE-QGZVFWFLSA-N 1 3 352.526 4.109 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnccc1N ZINC000422733561 1096465638 /nfs/dbraw/zinc/46/56/38/1096465638.db2.gz RDXZPDSHKWDGIE-QGZVFWFLSA-N 1 3 352.526 4.109 20 0 FIADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422735377 1096468011 /nfs/dbraw/zinc/46/80/11/1096468011.db2.gz UPBVDRAGUMNLTP-DNVCBOLYSA-N 1 3 370.368 4.065 20 0 FIADHO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000422742652 1096478521 /nfs/dbraw/zinc/47/85/21/1096478521.db2.gz GSFIVHSZTLUIOF-BTYIYWSLSA-N 1 3 374.960 4.236 20 0 FIADHO CC(C)(C)c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784248 1096489798 /nfs/dbraw/zinc/48/97/98/1096489798.db2.gz PKCISXYXRLDGBO-REWPJTCUSA-N 1 3 350.506 4.330 20 0 FIADHO COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422781448 1096490425 /nfs/dbraw/zinc/49/04/25/1096490425.db2.gz KQBKOIGDLDABOZ-ZWOKBUDYSA-N 1 3 356.510 4.011 20 0 FIADHO COc1ccc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C(C)C)cc1 ZINC000422786470 1096491157 /nfs/dbraw/zinc/49/11/57/1096491157.db2.gz OXPSXOMLTIQWRH-MZYLBHOOSA-N 1 3 366.505 4.238 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422786571 1096491451 /nfs/dbraw/zinc/49/14/51/1096491451.db2.gz SPJYTJWPGSIQOZ-LBPRGKRZSA-N 1 3 368.308 4.275 20 0 FIADHO COc1cccc(-c2ccc(CN[C@@H](C)c3ccc(C[NH3+])nc3C)cc2)c1 ZINC000422793834 1096492453 /nfs/dbraw/zinc/49/24/53/1096492453.db2.gz SYINHLWZNGEVCO-INIZCTEOSA-N 1 3 361.489 4.375 20 0 FIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000422807137 1096495786 /nfs/dbraw/zinc/49/57/86/1096495786.db2.gz OMACGXJWFKTIBW-DHUIEDIVSA-N 1 3 374.431 4.195 20 0 FIADHO COc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OCCC(C)C ZINC000422880390 1096510890 /nfs/dbraw/zinc/51/08/90/1096510890.db2.gz LTSHVJUSQUSHTN-MRXNPFEDSA-N 1 3 371.525 4.133 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422900885 1096519094 /nfs/dbraw/zinc/51/90/94/1096519094.db2.gz KGCOVIXZNHIREX-OLZOCXBDSA-N 1 3 367.415 4.202 20 0 FIADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc(C2CCCCC2)cs1 ZINC000422911370 1096521140 /nfs/dbraw/zinc/52/11/40/1096521140.db2.gz KPUSVCHKBDTWAC-LPHOPBHVSA-N 1 3 357.567 4.281 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422911233 1096522719 /nfs/dbraw/zinc/52/27/19/1096522719.db2.gz KKYSTLWMVXGMBE-CQSZACIVSA-N 1 3 358.555 4.246 20 0 FIADHO C[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000422930942 1096527940 /nfs/dbraw/zinc/52/79/40/1096527940.db2.gz AEVYNPUCWOKBJL-FZKQIMNGSA-N 1 3 365.290 4.395 20 0 FIADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccccc3Cl)CCOCC2)c2ccccc21 ZINC000422954947 1096539057 /nfs/dbraw/zinc/53/90/57/1096539057.db2.gz IPYGXLCKRHQLRB-VQTJNVASSA-N 1 3 356.897 4.123 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000422954625 1096539254 /nfs/dbraw/zinc/53/92/54/1096539254.db2.gz JKKFPFJPNGILLM-APPDUMDISA-N 1 3 350.293 4.494 20 0 FIADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000423067612 1096563338 /nfs/dbraw/zinc/56/33/38/1096563338.db2.gz ZZLQIFPGBPQJBM-FSPWUOQZSA-N 1 3 361.411 4.019 20 0 FIADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093231 1096571809 /nfs/dbraw/zinc/57/18/09/1096571809.db2.gz GQNYMIZQFNBVMG-MGBSGCIJSA-N 1 3 355.295 4.084 20 0 FIADHO Fc1cccc(Cl)c1[C@@H]1C[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172909 1096603223 /nfs/dbraw/zinc/60/32/23/1096603223.db2.gz VXVHZQRNSJKUDA-WMIGDMCZSA-N 1 3 372.871 4.181 20 0 FIADHO CCOc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000414721076 1096607806 /nfs/dbraw/zinc/60/78/06/1096607806.db2.gz FJEMWPRQWIQLTP-HXUWFJFHSA-N 1 3 356.535 4.291 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423225452 1096622585 /nfs/dbraw/zinc/62/25/85/1096622585.db2.gz MVPRFFXTAKLJSG-QWRGUYRKSA-N 1 3 368.344 4.269 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)C[NH2+]C3)c2cccc(Br)c21 ZINC000423369508 1096658587 /nfs/dbraw/zinc/65/85/87/1096658587.db2.gz DYSFCENHFBQTID-KPZWWZAWSA-N 1 3 357.295 4.390 20 0 FIADHO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414739238 1096668005 /nfs/dbraw/zinc/66/80/05/1096668005.db2.gz PXUZRDQLVRJUMJ-KGLIPLIRSA-N 1 3 372.340 4.032 20 0 FIADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000423482049 1096703189 /nfs/dbraw/zinc/70/31/89/1096703189.db2.gz XONFIEMTHBGHFO-DOAHWQAKSA-N 1 3 370.512 4.309 20 0 FIADHO CCC1(CNCc2ccc(COC)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000533125367 1098790086 /nfs/dbraw/zinc/79/00/86/1098790086.db2.gz DGUNFMATUPOHEG-UHFFFAOYSA-N 1 3 356.510 4.208 20 0 FIADHO CCC1(CNCc2cn3ccccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000533125716 1098807731 /nfs/dbraw/zinc/80/77/31/1098807731.db2.gz ZLINUFSMFOQNDJ-UHFFFAOYSA-N 1 3 362.521 4.116 20 0 FIADHO CC(C)N(C)c1ccccc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000437096502 1099598958 /nfs/dbraw/zinc/59/89/58/1099598958.db2.gz MKHZMAQXAJYWDP-LJQANCHMSA-N 1 3 369.553 4.322 20 0 FIADHO C[C@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)c2ccsc2S1 ZINC000162501907 1099811784 /nfs/dbraw/zinc/81/17/84/1099811784.db2.gz FALPOVLVXRDNJJ-KSSFIOAISA-N 1 3 362.564 4.404 20 0 FIADHO C[C@H](N[C@H](CCCO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713914 1099885871 /nfs/dbraw/zinc/88/58/71/1099885871.db2.gz GOOBVPBIKZZVJD-AJSBUHFISA-N 1 3 352.522 4.000 20 0 FIADHO C[C@H](N[C@H](CCCO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713914 1099885892 /nfs/dbraw/zinc/88/58/92/1099885892.db2.gz GOOBVPBIKZZVJD-AJSBUHFISA-N 1 3 352.522 4.000 20 0 FIADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000437489248 1099951864 /nfs/dbraw/zinc/95/18/64/1099951864.db2.gz ZAJMXQZISZICCC-OAQYLSRUSA-N 1 3 373.585 4.012 20 0 FIADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@@H](C)C1 ZINC000536859034 1100375300 /nfs/dbraw/zinc/37/53/00/1100375300.db2.gz RKPVRMUTVRQKAA-RXVVDRJESA-N 1 3 368.521 4.094 20 0 FIADHO CCCCN1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000517549892 1100492556 /nfs/dbraw/zinc/49/25/56/1100492556.db2.gz AEANTLTZBSAYSZ-UHFFFAOYSA-N 1 3 362.521 4.380 20 0 FIADHO Cc1cccc(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000506207591 1100597587 /nfs/dbraw/zinc/59/75/87/1100597587.db2.gz RPTBQIWYRCDXJS-UHFFFAOYSA-N 1 3 351.538 4.157 20 0 FIADHO COc1ccc(CC[C@H](C)N[C@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938962 1100839089 /nfs/dbraw/zinc/83/90/89/1100839089.db2.gz IWPXLVGBMRVEAW-HRAATJIYSA-N 1 3 364.489 4.165 20 0 FIADHO COc1ccc(CC[C@H](C)N[C@@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938971 1100839124 /nfs/dbraw/zinc/83/91/24/1100839124.db2.gz IWPXLVGBMRVEAW-KKSFZXQISA-N 1 3 364.489 4.165 20 0 FIADHO Fc1cncc([C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C2CC2)c1 ZINC000467379013 1101041259 /nfs/dbraw/zinc/04/12/59/1101041259.db2.gz YVZPFHZOOFBZFK-YWZLYKJASA-N 1 3 359.514 4.235 20 0 FIADHO Fc1cncc([C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C2CC2)c1 ZINC000467379013 1101041267 /nfs/dbraw/zinc/04/12/67/1101041267.db2.gz YVZPFHZOOFBZFK-YWZLYKJASA-N 1 3 359.514 4.235 20 0 FIADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001168168178 1101818481 /nfs/dbraw/zinc/81/84/81/1101818481.db2.gz PMWWVLORDRMGOK-MRXNPFEDSA-N 1 3 360.904 4.446 20 0 FIADHO Cn1cc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783436 1102295676 /nfs/dbraw/zinc/29/56/76/1102295676.db2.gz ZXDJQUTWBRFZLD-FGZHOGPDSA-N 1 3 360.505 4.012 20 0 FIADHO Cn1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783436 1102295687 /nfs/dbraw/zinc/29/56/87/1102295687.db2.gz ZXDJQUTWBRFZLD-FGZHOGPDSA-N 1 3 360.505 4.012 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cccc(CO)c1 ZINC000121698462 1102439762 /nfs/dbraw/zinc/43/97/62/1102439762.db2.gz KGAMSQXMLXWOJN-LJQANCHMSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H]1C ZINC000550882055 1102653092 /nfs/dbraw/zinc/65/30/92/1102653092.db2.gz HPYKZMUOLWBWHY-SKWRMQMOSA-N 1 3 370.581 4.330 20 0 FIADHO CN(C(=O)OC(C)(C)C)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168352767 1102679185 /nfs/dbraw/zinc/67/91/85/1102679185.db2.gz DDFCLERMRBOUAV-UHFFFAOYSA-N 1 3 373.541 4.022 20 0 FIADHO Fc1ccccc1-c1n[nH]cc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000537651127 1102711101 /nfs/dbraw/zinc/71/11/01/1102711101.db2.gz XDMBONHDQAJRBM-UHFFFAOYSA-N 1 3 370.516 4.304 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000280782119 1102718061 /nfs/dbraw/zinc/71/80/61/1102718061.db2.gz GWBFJZFPQXERNO-JOCHJYFZSA-N 1 3 353.510 4.043 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007036 1102759201 /nfs/dbraw/zinc/75/92/01/1102759201.db2.gz CJCMUSGMYRALRJ-FGZHOGPDSA-N 1 3 365.521 4.350 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007036 1102759212 /nfs/dbraw/zinc/75/92/12/1102759212.db2.gz CJCMUSGMYRALRJ-FGZHOGPDSA-N 1 3 365.521 4.350 20 0 FIADHO CCC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187911253 1102779906 /nfs/dbraw/zinc/77/99/06/1102779906.db2.gz TWULWQJTIDCKCS-NHCUHLMSSA-N 1 3 358.551 4.336 20 0 FIADHO CCC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000187911253 1102779915 /nfs/dbraw/zinc/77/99/15/1102779915.db2.gz TWULWQJTIDCKCS-NHCUHLMSSA-N 1 3 358.551 4.336 20 0 FIADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459362764 1102919473 /nfs/dbraw/zinc/91/94/73/1102919473.db2.gz HALFGYSBILHQOJ-PWRODBHTSA-N 1 3 362.583 4.035 20 0 FIADHO COc1ccc(C2([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC000507519398 1103443560 /nfs/dbraw/zinc/44/35/60/1103443560.db2.gz IEXYWXKDJFBEKV-AJSBUHFISA-N 1 3 362.517 4.185 20 0 FIADHO FC(F)(F)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000551702886 1103530307 /nfs/dbraw/zinc/53/03/07/1103530307.db2.gz XZMUPCGXTHSYGX-UHFFFAOYSA-N 1 3 355.448 4.188 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCS2 ZINC000427542103 1103637205 /nfs/dbraw/zinc/63/72/05/1103637205.db2.gz VBSVYMCDFFWFOV-WSTZPKSXSA-N 1 3 362.583 4.319 20 0 FIADHO COc1ccccc1CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167988576 1103945009 /nfs/dbraw/zinc/94/50/09/1103945009.db2.gz QSZGXUFUXURYCU-AIZNXBIQSA-N 1 3 368.565 4.355 20 0 FIADHO COc1ccccc1CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167988576 1103945013 /nfs/dbraw/zinc/94/50/13/1103945013.db2.gz QSZGXUFUXURYCU-AIZNXBIQSA-N 1 3 368.565 4.355 20 0 FIADHO COc1ccccc1CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988576 1103945020 /nfs/dbraw/zinc/94/50/20/1103945020.db2.gz QSZGXUFUXURYCU-AIZNXBIQSA-N 1 3 368.565 4.355 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404534 1104345481 /nfs/dbraw/zinc/34/54/81/1104345481.db2.gz SWRMFXUHNWBXTA-LPHOPBHVSA-N 1 3 368.443 4.076 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404534 1104345494 /nfs/dbraw/zinc/34/54/94/1104345494.db2.gz SWRMFXUHNWBXTA-LPHOPBHVSA-N 1 3 368.443 4.076 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000579545946 1105075255 /nfs/dbraw/zinc/07/52/55/1105075255.db2.gz KJYMRRHKUYUDRM-NFVALVNTSA-N 1 3 356.554 4.223 20 0 FIADHO Cc1cccn2c(C[NH2+]C3C[C@@H](C)N(Cc4ccccc4)[C@H](C)C3)cnc12 ZINC001168007432 1105130140 /nfs/dbraw/zinc/13/01/40/1105130140.db2.gz AQPHGOBIFBJRPS-RTBURBONSA-N 1 3 362.521 4.174 20 0 FIADHO COc1ccc(OCCNC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168009940 1105229271 /nfs/dbraw/zinc/22/92/71/1105229271.db2.gz IPWLDQXXUOPEBQ-RTBURBONSA-N 1 3 368.521 4.105 20 0 FIADHO CC(C)Cc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530210043 1106913626 /nfs/dbraw/zinc/91/36/26/1106913626.db2.gz KSNFGINOIGCUNC-FYYLOGMGSA-N 1 3 350.506 4.231 20 0 FIADHO CC(=O)c1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000451067700 1106918707 /nfs/dbraw/zinc/91/87/07/1106918707.db2.gz PDRYQPSDMBBORM-UHFFFAOYSA-N 1 3 362.517 4.377 20 0 FIADHO Clc1ccccc1OC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000444610662 1108017991 /nfs/dbraw/zinc/01/79/91/1108017991.db2.gz DLODYRWKPWQBQX-SFHVURJKSA-N 1 3 350.934 4.307 20 0 FIADHO Clc1ccccc1OC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000444610662 1108018006 /nfs/dbraw/zinc/01/80/06/1108018006.db2.gz DLODYRWKPWQBQX-SFHVURJKSA-N 1 3 350.934 4.307 20 0 FIADHO OC1CC[NH+](Cc2ccccc2CN[C@H]2CCc3c2cccc3Cl)CC1 ZINC000531737521 1108107009 /nfs/dbraw/zinc/10/70/09/1108107009.db2.gz APMLVGSMVWJJAP-QFIPXVFZSA-N 1 3 370.924 4.074 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218067 1108288733 /nfs/dbraw/zinc/28/87/33/1108288733.db2.gz GGPWCKDXEUDOFC-GOTSBHOMSA-N 1 3 368.565 4.084 20 0 FIADHO CO[C@@](C)(CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319420 1108407524 /nfs/dbraw/zinc/40/75/24/1108407524.db2.gz KUDADVQDLHAFNJ-KIHHCIJBSA-N 1 3 364.533 4.333 20 0 FIADHO CO[C@@](C)(CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319420 1108407534 /nfs/dbraw/zinc/40/75/34/1108407534.db2.gz KUDADVQDLHAFNJ-KIHHCIJBSA-N 1 3 364.533 4.333 20 0 FIADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453375620 1108493918 /nfs/dbraw/zinc/49/39/18/1108493918.db2.gz XYUFOVXBZZLOOD-JSITXCQRSA-N 1 3 357.325 4.364 20 0 FIADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453375620 1108493925 /nfs/dbraw/zinc/49/39/25/1108493925.db2.gz XYUFOVXBZZLOOD-JSITXCQRSA-N 1 3 357.325 4.364 20 0 FIADHO c1nc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000453593223 1108650369 /nfs/dbraw/zinc/65/03/69/1108650369.db2.gz BNPGVGRMVLELMR-QFIPXVFZSA-N 1 3 353.510 4.331 20 0 FIADHO Cc1ccc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)nc1 ZINC000532139945 1108684630 /nfs/dbraw/zinc/68/46/30/1108684630.db2.gz VTJGVOSJRZQTIC-UHFFFAOYSA-N 1 3 351.538 4.215 20 0 FIADHO COc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC(F)F)c1 ZINC000524457898 1109020948 /nfs/dbraw/zinc/02/09/48/1109020948.db2.gz LAYFRJZDLLSBAO-HOTGVXAUSA-N 1 3 370.484 4.144 20 0 FIADHO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835790 1109356130 /nfs/dbraw/zinc/35/61/30/1109356130.db2.gz QLHSPOKCKRRKEO-VGOFRKELSA-N 1 3 366.530 4.189 20 0 FIADHO C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835790 1109356131 /nfs/dbraw/zinc/35/61/31/1109356131.db2.gz QLHSPOKCKRRKEO-VGOFRKELSA-N 1 3 366.530 4.189 20 0 FIADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000367373269 1109483006 /nfs/dbraw/zinc/48/30/06/1109483006.db2.gz BFYRZWKWNZBQGX-HNNXBMFYSA-N 1 3 360.448 4.289 20 0 FIADHO CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccsc1 ZINC000447546302 1109575243 /nfs/dbraw/zinc/57/52/43/1109575243.db2.gz USWDOJDHIOLLCA-KJJMTIBFSA-N 1 3 369.578 4.136 20 0 FIADHO CO[C@@H](c1ccccc1F)[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538407273 1111118494 /nfs/dbraw/zinc/11/84/94/1111118494.db2.gz RXIUVMBSKVPOFR-HTAPYJJXSA-N 1 3 356.485 4.156 20 0 FIADHO COc1ccc([C@H](CCC(C)C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000539062217 1111407912 /nfs/dbraw/zinc/40/79/12/1111407912.db2.gz UGNXNVWVANXOIX-YTFSRNRJSA-N 1 3 374.569 4.140 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000539073708 1111420027 /nfs/dbraw/zinc/42/00/27/1111420027.db2.gz XISVMAAZUJIQSI-KRWDZBQOSA-N 1 3 365.521 4.262 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000539073708 1111420031 /nfs/dbraw/zinc/42/00/31/1111420031.db2.gz XISVMAAZUJIQSI-KRWDZBQOSA-N 1 3 365.521 4.262 20 0 FIADHO CC[NH+]1CCC(N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000462032791 1111467472 /nfs/dbraw/zinc/46/74/72/1111467472.db2.gz SLGCPKXKNYZTSE-QFIPXVFZSA-N 1 3 356.485 4.192 20 0 FIADHO CCCN1CCC([NH2+][C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539296725 1111506573 /nfs/dbraw/zinc/50/65/73/1111506573.db2.gz KGSLQOLNNHKDBE-UXHICEINSA-N 1 3 367.940 4.078 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CCc3ccccc31)c1ccccc1O2 ZINC000539396680 1111552776 /nfs/dbraw/zinc/55/27/76/1111552776.db2.gz MLBCNNOPGHAKSZ-UGKGYDQZSA-N 1 3 362.517 4.294 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000552047409 1111557576 /nfs/dbraw/zinc/55/75/76/1111557576.db2.gz LSHLZZNXLVEDNJ-REWPJTCUSA-N 1 3 367.537 4.084 20 0 FIADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000552087534 1111569705 /nfs/dbraw/zinc/56/97/05/1111569705.db2.gz KNJGIVWMHCWKAF-YFNKSVMNSA-N 1 3 363.549 4.213 20 0 FIADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477915542 1111597535 /nfs/dbraw/zinc/59/75/35/1111597535.db2.gz KVUYHKATHKCBJA-INIZCTEOSA-N 1 3 365.949 4.077 20 0 FIADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477915542 1111597540 /nfs/dbraw/zinc/59/75/40/1111597540.db2.gz KVUYHKATHKCBJA-INIZCTEOSA-N 1 3 365.949 4.077 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290017 1111986335 /nfs/dbraw/zinc/98/63/35/1111986335.db2.gz XFGXJRFNDLCHCK-RDJZCZTQSA-N 1 3 353.348 4.090 20 0 FIADHO CC(C)Oc1ccc([C@@H](CNC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000554086031 1112197438 /nfs/dbraw/zinc/19/74/38/1112197438.db2.gz SIXDPXUHIUPNGJ-HSZRJFAPSA-N 1 3 373.585 4.073 20 0 FIADHO C[C@H]([NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480162462 1112308923 /nfs/dbraw/zinc/30/89/23/1112308923.db2.gz BRJDGEWZYXAQGN-ZACQAIPSSA-N 1 3 373.928 4.195 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc2)CC1 ZINC000480236511 1112344419 /nfs/dbraw/zinc/34/44/19/1112344419.db2.gz ZSAHCEFXEDQYSU-QGZVFWFLSA-N 1 3 371.491 4.035 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000480262515 1112362676 /nfs/dbraw/zinc/36/26/76/1112362676.db2.gz KONVUMRRPYCBCB-SFHVURJKSA-N 1 3 366.505 4.498 20 0 FIADHO Cc1ccc2nccc(NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)c2c1 ZINC000480554354 1112473796 /nfs/dbraw/zinc/47/37/96/1112473796.db2.gz RPHWTYOAWNGLEQ-UHFFFAOYSA-N 1 3 363.427 4.182 20 0 FIADHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308042 1112881695 /nfs/dbraw/zinc/88/16/95/1112881695.db2.gz AFOPMMRLTRKIRB-XMSQKQJNSA-N 1 3 356.485 4.050 20 0 FIADHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308042 1112881702 /nfs/dbraw/zinc/88/17/02/1112881702.db2.gz AFOPMMRLTRKIRB-XMSQKQJNSA-N 1 3 356.485 4.050 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308042 1112881713 /nfs/dbraw/zinc/88/17/13/1112881713.db2.gz AFOPMMRLTRKIRB-XMSQKQJNSA-N 1 3 356.485 4.050 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333082 1113228049 /nfs/dbraw/zinc/22/80/49/1113228049.db2.gz ZCYABYSJPOXUOV-HOTGVXAUSA-N 1 3 358.448 4.399 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000482444771 1113258045 /nfs/dbraw/zinc/25/80/45/1113258045.db2.gz AMKAWVRSPHBYLK-HXUWFJFHSA-N 1 3 356.510 4.413 20 0 FIADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482445258 1113259049 /nfs/dbraw/zinc/25/90/49/1113259049.db2.gz ISDJNYYEPXTVJU-GMAHTHKFSA-N 1 3 364.533 4.363 20 0 FIADHO COc1ccc([C@@H](CCC(C)C)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000482558156 1113295286 /nfs/dbraw/zinc/29/52/86/1113295286.db2.gz NCYCQILMLXETFR-JOCHJYFZSA-N 1 3 374.569 4.407 20 0 FIADHO COc1ccc([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)c2ccccc12 ZINC000482555396 1113298372 /nfs/dbraw/zinc/29/83/72/1113298372.db2.gz LSUMKHDUCDHDNH-SFHVURJKSA-N 1 3 368.521 4.144 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000483140248 1113451781 /nfs/dbraw/zinc/45/17/81/1113451781.db2.gz PSAYFFUNYDGQKV-BQFCYCMXSA-N 1 3 350.572 4.024 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCC3)[C@@H](C)C1 ZINC000483140248 1113451783 /nfs/dbraw/zinc/45/17/83/1113451783.db2.gz PSAYFFUNYDGQKV-BQFCYCMXSA-N 1 3 350.572 4.024 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000486080700 1113500704 /nfs/dbraw/zinc/50/07/04/1113500704.db2.gz LEVPPLUHSVUNRA-UHOSZYNNSA-N 1 3 372.475 4.059 20 0 FIADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415527 1115826420 /nfs/dbraw/zinc/82/64/20/1115826420.db2.gz CPDSNUFVXZFEFR-NRFANRHFSA-N 1 3 372.915 4.372 20 0 FIADHO Brc1ccc(/C=C/CCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903167 1115981710 /nfs/dbraw/zinc/98/17/10/1115981710.db2.gz KXPMIGVTJNPVSV-MWRWZGEBSA-N 1 3 363.343 4.270 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000607384297 1116021428 /nfs/dbraw/zinc/02/14/28/1116021428.db2.gz RVCXKNGNBSHZFO-GOSISDBHSA-N 1 3 365.521 4.232 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)C1 ZINC000607384297 1116021431 /nfs/dbraw/zinc/02/14/31/1116021431.db2.gz RVCXKNGNBSHZFO-GOSISDBHSA-N 1 3 365.521 4.232 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)c(F)c1 ZINC000534331540 1116185516 /nfs/dbraw/zinc/18/55/16/1116185516.db2.gz NSJXESXZGIXDHJ-CQSZACIVSA-N 1 3 350.865 4.270 20 0 FIADHO CC[NH+](CC)CCOC1CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000462511524 1116365303 /nfs/dbraw/zinc/36/53/03/1116365303.db2.gz NIPVRKWFVNLCQW-UHFFFAOYSA-N 1 3 355.526 4.179 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2c(O)cccc21 ZINC000462810203 1117780113 /nfs/dbraw/zinc/78/01/13/1117780113.db2.gz ZNMIXYFXVAPOTJ-VOQZNFBZSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2c(O)cccc21 ZINC000462810203 1117780118 /nfs/dbraw/zinc/78/01/18/1117780118.db2.gz ZNMIXYFXVAPOTJ-VOQZNFBZSA-N 1 3 350.506 4.270 20 0 FIADHO Oc1cccc2c1CCC[C@H]2NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000462896313 1117843950 /nfs/dbraw/zinc/84/39/50/1117843950.db2.gz NFOFTYTZCXRCME-OXJNMPFZSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1cccc2c1CCC[C@H]2NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000462896313 1117843960 /nfs/dbraw/zinc/84/39/60/1117843960.db2.gz NFOFTYTZCXRCME-OXJNMPFZSA-N 1 3 356.535 4.333 20 0 FIADHO CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000540175340 1117916072 /nfs/dbraw/zinc/91/60/72/1117916072.db2.gz UFNZYOQEANTBRL-VGSWGCGISA-N 1 3 368.521 4.364 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176636 1117916552 /nfs/dbraw/zinc/91/65/52/1117916552.db2.gz UJBNWNPVRJSSTO-UTKZUKDTSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176636 1117916555 /nfs/dbraw/zinc/91/65/55/1117916555.db2.gz UJBNWNPVRJSSTO-UTKZUKDTSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259519 1117961745 /nfs/dbraw/zinc/96/17/45/1117961745.db2.gz WIRZALDCGGUYHY-HOTGVXAUSA-N 1 3 362.949 4.389 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259519 1117961748 /nfs/dbraw/zinc/96/17/48/1117961748.db2.gz WIRZALDCGGUYHY-HOTGVXAUSA-N 1 3 362.949 4.389 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259520 1117962033 /nfs/dbraw/zinc/96/20/33/1117962033.db2.gz WIRZALDCGGUYHY-HZPDHXFCSA-N 1 3 362.949 4.389 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259520 1117962037 /nfs/dbraw/zinc/96/20/37/1117962037.db2.gz WIRZALDCGGUYHY-HZPDHXFCSA-N 1 3 362.949 4.389 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000463108854 1117968604 /nfs/dbraw/zinc/96/86/04/1117968604.db2.gz UZVIPCYTXGWVQI-NRFANRHFSA-N 1 3 368.569 4.179 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000463108854 1117968606 /nfs/dbraw/zinc/96/86/06/1117968606.db2.gz UZVIPCYTXGWVQI-NRFANRHFSA-N 1 3 368.569 4.179 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C[C@@H](C)O1 ZINC000540320794 1117982835 /nfs/dbraw/zinc/98/28/35/1117982835.db2.gz NBCVVPQVYKWUJS-QINHECLXSA-N 1 3 350.934 4.270 20 0 FIADHO CC(C)[NH+](CCNC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000463132500 1117983522 /nfs/dbraw/zinc/98/35/22/1117983522.db2.gz PMVTWGWLUPYTGQ-UHFFFAOYSA-N 1 3 351.966 4.013 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(Cn3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463140393 1117987267 /nfs/dbraw/zinc/98/72/67/1117987267.db2.gz GYDWOYMLYLLRTL-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc(Cn3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463140393 1117987271 /nfs/dbraw/zinc/98/72/71/1117987271.db2.gz GYDWOYMLYLLRTL-HYBUGGRVSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1cccn1 ZINC000463205760 1118020030 /nfs/dbraw/zinc/02/00/30/1118020030.db2.gz NQRUDZGAULHGIB-FQEVSTJZSA-N 1 3 374.532 4.230 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000540419303 1118045367 /nfs/dbraw/zinc/04/53/67/1118045367.db2.gz WFINIWQLHAMGEQ-XNJGSVPQSA-N 1 3 369.372 4.163 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000540419303 1118045370 /nfs/dbraw/zinc/04/53/70/1118045370.db2.gz WFINIWQLHAMGEQ-XNJGSVPQSA-N 1 3 369.372 4.163 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1O2 ZINC000540461862 1118067376 /nfs/dbraw/zinc/06/73/76/1118067376.db2.gz CEXUPFVOWLVBAZ-HXUWFJFHSA-N 1 3 372.459 4.085 20 0 FIADHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540475939 1118077025 /nfs/dbraw/zinc/07/70/25/1118077025.db2.gz WOHNZSQBQKPVMS-APWZRJJASA-N 1 3 356.535 4.257 20 0 FIADHO Cc1ccc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)c1 ZINC000540475535 1118078116 /nfs/dbraw/zinc/07/81/16/1118078116.db2.gz XUAUWYGJOHKGOB-QFIPXVFZSA-N 1 3 364.533 4.424 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)C2CCCC2)o1 ZINC000540493144 1118090769 /nfs/dbraw/zinc/09/07/69/1118090769.db2.gz WHMQDTWVSSJBNL-JAXLGGSGSA-N 1 3 360.542 4.177 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)C2CCCC2)o1 ZINC000540493147 1118090969 /nfs/dbraw/zinc/09/09/69/1118090969.db2.gz WHMQDTWVSSJBNL-TUNNFDKTSA-N 1 3 360.542 4.177 20 0 FIADHO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000540510470 1118099172 /nfs/dbraw/zinc/09/91/72/1118099172.db2.gz OZESRWCPGLZNJT-OZQHCQBDSA-N 1 3 368.521 4.302 20 0 FIADHO CN1CC=C(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000540608776 1118148756 /nfs/dbraw/zinc/14/87/56/1118148756.db2.gz TVYLEBVESWEDQI-KRWDZBQOSA-N 1 3 357.498 4.178 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC(=O)Nc2ccccc21 ZINC000541552109 1118559859 /nfs/dbraw/zinc/55/98/59/1118559859.db2.gz MEFBNLIECDVDJG-FQEVSTJZSA-N 1 3 351.494 4.090 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC(=O)Nc2ccccc21 ZINC000541552109 1118559862 /nfs/dbraw/zinc/55/98/62/1118559862.db2.gz MEFBNLIECDVDJG-FQEVSTJZSA-N 1 3 351.494 4.090 20 0 FIADHO CC[N@H+](C)C[C@H]1CCN(CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699965 /nfs/dbraw/zinc/69/99/65/1118699965.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 1 3 351.332 4.126 20 0 FIADHO CC[N@@H+](C)C[C@H]1CCN(CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699968 /nfs/dbraw/zinc/69/99/68/1118699968.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699972 /nfs/dbraw/zinc/69/99/72/1118699972.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791424 1118699973 /nfs/dbraw/zinc/69/99/73/1118699973.db2.gz TWRVHSBXBYWBJU-XQDHMALISA-N 1 3 351.332 4.126 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852974 1118987189 /nfs/dbraw/zinc/98/71/89/1118987189.db2.gz PBFWUKMFNAOXBG-VNHKHXMHSA-N 1 3 352.522 4.405 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852974 1118987192 /nfs/dbraw/zinc/98/71/92/1118987192.db2.gz PBFWUKMFNAOXBG-VNHKHXMHSA-N 1 3 352.522 4.405 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000173320226 1119032573 /nfs/dbraw/zinc/03/25/73/1119032573.db2.gz LKMQKKKPHBUOBX-QGZVFWFLSA-N 1 3 356.510 4.395 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000173320226 1119032576 /nfs/dbraw/zinc/03/25/76/1119032576.db2.gz LKMQKKKPHBUOBX-QGZVFWFLSA-N 1 3 356.510 4.395 20 0 FIADHO CCO[C@@H](CC[NH+](C)C)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000493076877 1119282476 /nfs/dbraw/zinc/28/24/76/1119282476.db2.gz FPXQVJNVYQKBAE-FQEVSTJZSA-N 1 3 362.464 4.001 20 0 FIADHO Fc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000311991667 1119397037 /nfs/dbraw/zinc/39/70/37/1119397037.db2.gz ONTYLSHAPOCPJO-INIZCTEOSA-N 1 3 366.402 4.456 20 0 FIADHO Cc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000494074553 1119537589 /nfs/dbraw/zinc/53/75/89/1119537589.db2.gz GNYYLKNNQKVUFR-TZRRMPRUSA-N 1 3 364.533 4.052 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000191571216 1119984818 /nfs/dbraw/zinc/98/48/18/1119984818.db2.gz ABTDOMDKHDNJSH-QHCPKHFHSA-N 1 3 368.569 4.111 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000191571216 1119984821 /nfs/dbraw/zinc/98/48/21/1119984821.db2.gz ABTDOMDKHDNJSH-QHCPKHFHSA-N 1 3 368.569 4.111 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cc(Br)cs1 ZINC000193950110 1120218855 /nfs/dbraw/zinc/21/88/55/1120218855.db2.gz IQRLZCNRWUHPPQ-GFCCVEGCSA-N 1 3 353.329 4.423 20 0 FIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc(Br)cs1 ZINC000193957665 1120219513 /nfs/dbraw/zinc/21/95/13/1120219513.db2.gz OOARRRYFNNEKLW-LBPRGKRZSA-N 1 3 353.329 4.423 20 0 FIADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495105406 1120477307 /nfs/dbraw/zinc/47/73/07/1120477307.db2.gz BRMCMPBXMWGHLH-LAUBAEHRSA-N 1 3 368.569 4.255 20 0 FIADHO C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001168484340 1120639315 /nfs/dbraw/zinc/63/93/15/1120639315.db2.gz FTULFKXKIUTUDM-LJQANCHMSA-N 1 3 367.512 4.140 20 0 FIADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000495434209 1120809786 /nfs/dbraw/zinc/80/97/86/1120809786.db2.gz QSBIOIUUFVFPHA-BBTUJRGHSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000495434209 1120809794 /nfs/dbraw/zinc/80/97/94/1120809794.db2.gz QSBIOIUUFVFPHA-BBTUJRGHSA-N 1 3 350.506 4.278 20 0 FIADHO CC[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1OC ZINC000915228551 1120884267 /nfs/dbraw/zinc/88/42/67/1120884267.db2.gz FOYXHDJAHANNLW-QFIPXVFZSA-N 1 3 368.521 4.411 20 0 FIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cc(Br)ncc1F ZINC000762749267 1120958881 /nfs/dbraw/zinc/95/88/81/1120958881.db2.gz RIBDBIRDQPTGRA-CQSZACIVSA-N 1 3 372.326 4.290 20 0 FIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000123723222 1121626069 /nfs/dbraw/zinc/62/60/69/1121626069.db2.gz SYHVXCIFMVUCKI-AWEZNQCLSA-N 1 3 352.400 4.498 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000065932093 1121723498 /nfs/dbraw/zinc/72/34/98/1121723498.db2.gz UUZMQXWNIXBGDZ-UHFFFAOYSA-N 1 3 364.892 4.490 20 0 FIADHO C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761361 1121791011 /nfs/dbraw/zinc/79/10/11/1121791011.db2.gz XITOJDSMACUEAW-OPAMFIHVSA-N 1 3 365.477 4.239 20 0 FIADHO C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761361 1121791023 /nfs/dbraw/zinc/79/10/23/1121791023.db2.gz XITOJDSMACUEAW-OPAMFIHVSA-N 1 3 365.477 4.239 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000125567615 1121792722 /nfs/dbraw/zinc/79/27/22/1121792722.db2.gz QGMPWNFSJNRXBP-OALUTQOASA-N 1 3 374.573 4.333 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000125872747 1121858384 /nfs/dbraw/zinc/85/83/84/1121858384.db2.gz CBIMCBMPNFGQTO-IBGZPJMESA-N 1 3 363.977 4.014 20 0 FIADHO CC[NH+](CC)CCOC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000072694640 1121902982 /nfs/dbraw/zinc/90/29/82/1121902982.db2.gz XOYZEXAZECJRQU-UHFFFAOYSA-N 1 3 373.566 4.133 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000917008330 1122000143 /nfs/dbraw/zinc/00/01/43/1122000143.db2.gz JQNNPQFWRIUWJD-IERDGZPVSA-N 1 3 374.475 4.162 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000917008330 1122000151 /nfs/dbraw/zinc/00/01/51/1122000151.db2.gz JQNNPQFWRIUWJD-IERDGZPVSA-N 1 3 374.475 4.162 20 0 FIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000069160438 1122557577 /nfs/dbraw/zinc/55/75/77/1122557577.db2.gz ZKLHAIZGHJFTHS-SFHVURJKSA-N 1 3 374.550 4.157 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000556890431 1123176409 /nfs/dbraw/zinc/17/64/09/1123176409.db2.gz LKHDNBQLJQVCJZ-ITHJZZCUSA-N 1 3 370.581 4.472 20 0 FIADHO CC(C)CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000556889924 1123177253 /nfs/dbraw/zinc/17/72/53/1123177253.db2.gz KVFYDOCECGMMFE-FGZHOGPDSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000556889924 1123177258 /nfs/dbraw/zinc/17/72/58/1123177258.db2.gz KVFYDOCECGMMFE-FGZHOGPDSA-N 1 3 356.510 4.113 20 0 FIADHO COc1cccc(C2([NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000556912147 1123203716 /nfs/dbraw/zinc/20/37/16/1123203716.db2.gz QVZYXTVQDPAKMQ-UYAOXDASSA-N 1 3 350.506 4.185 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232945 1123341434 /nfs/dbraw/zinc/34/14/34/1123341434.db2.gz ZFUNUWZLYUSKAJ-HLRQEUIKSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232945 1123341440 /nfs/dbraw/zinc/34/14/40/1123341440.db2.gz ZFUNUWZLYUSKAJ-HLRQEUIKSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000237609261 1123644297 /nfs/dbraw/zinc/64/42/97/1123644297.db2.gz DXMUMCUGESPYOS-HDICACEKSA-N 1 3 358.551 4.394 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474598285 1124217250 /nfs/dbraw/zinc/21/72/50/1124217250.db2.gz KQQQNQVHQDQRTG-VBWXLCSBSA-N 1 3 364.496 4.223 20 0 FIADHO COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000245750856 1124239749 /nfs/dbraw/zinc/23/97/49/1124239749.db2.gz UBMYHFBZHNPFMH-BXXSPATCSA-N 1 3 350.506 4.159 20 0 FIADHO CC[N@@H+]1CC[C@H](NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246316862 1124443586 /nfs/dbraw/zinc/44/35/86/1124443586.db2.gz FAEZXDOOQXNMOI-KSSFIOAISA-N 1 3 363.958 4.326 20 0 FIADHO CC[N@H+]1CC[C@H](NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246316862 1124443590 /nfs/dbraw/zinc/44/35/90/1124443590.db2.gz FAEZXDOOQXNMOI-KSSFIOAISA-N 1 3 363.958 4.326 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000246346842 1124460229 /nfs/dbraw/zinc/46/02/29/1124460229.db2.gz HHWHUUWGPOANML-GDIGMMSISA-N 1 3 370.459 4.124 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247943653 1124732332 /nfs/dbraw/zinc/73/23/32/1124732332.db2.gz DGZZGWVGZKJYJG-XPGWFJOJSA-N 1 3 354.485 4.143 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000248066025 1124740523 /nfs/dbraw/zinc/74/05/23/1124740523.db2.gz MGCRAZDFUQKPPQ-JZXOWHBKSA-N 1 3 361.555 4.084 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248402540 1124762244 /nfs/dbraw/zinc/76/22/44/1124762244.db2.gz NHPKBHIHABRBKT-UEXGIBASSA-N 1 3 366.553 4.484 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248402540 1124762251 /nfs/dbraw/zinc/76/22/51/1124762251.db2.gz NHPKBHIHABRBKT-UEXGIBASSA-N 1 3 366.553 4.484 20 0 FIADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248409049 1124764856 /nfs/dbraw/zinc/76/48/56/1124764856.db2.gz WGQFNLPYSZFWGF-BHDDXSALSA-N 1 3 356.554 4.084 20 0 FIADHO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccs1 ZINC000090523556 1125001224 /nfs/dbraw/zinc/00/12/24/1125001224.db2.gz VXFZUAIGDOGFTA-OTWHNJEPSA-N 1 3 350.572 4.193 20 0 FIADHO COc1ccc([C@H](NCc2ccccc2OCC[NH+](C)C)C(C)C)cc1 ZINC000091312906 1125064155 /nfs/dbraw/zinc/06/41/55/1125064155.db2.gz UVIAYBQVUWWAJP-JOCHJYFZSA-N 1 3 356.510 4.123 20 0 FIADHO C[C@@H]([NH3+])C1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000521435302 568014556 /nfs/dbraw/zinc/01/45/56/568014556.db2.gz ZNYSVGZBOCSQEW-LJQANCHMSA-N 1 3 374.532 4.158 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594911 568333673 /nfs/dbraw/zinc/33/36/73/568333673.db2.gz HGBMYOQDTOZKBJ-BHDDXSALSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594911 568333674 /nfs/dbraw/zinc/33/36/74/568333674.db2.gz HGBMYOQDTOZKBJ-BHDDXSALSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN([C@@H](C)CC[N@@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594911 568333675 /nfs/dbraw/zinc/33/36/75/568333675.db2.gz HGBMYOQDTOZKBJ-BHDDXSALSA-N 1 3 368.606 4.327 20 0 FIADHO CCCO[C@@H]1CCCN([C@@H](C)CC[N@H+]2CCC[C@@H](OCCC)CC2)CC1 ZINC000431594911 568333676 /nfs/dbraw/zinc/33/36/76/568333676.db2.gz HGBMYOQDTOZKBJ-BHDDXSALSA-N 1 3 368.606 4.327 20 0 FIADHO CN(C)Cc1cccc(NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000093926075 1125542475 /nfs/dbraw/zinc/54/24/75/1125542475.db2.gz OAIUXDBZXKKWAJ-UHFFFAOYSA-N 1 3 366.509 4.031 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(CO)c(F)c2)ccc1OC ZINC000182576734 1125572886 /nfs/dbraw/zinc/57/28/86/1125572886.db2.gz HNDZPPZNVZJJOR-INIZCTEOSA-N 1 3 374.500 4.019 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)ccc1OC ZINC000182998501 1125714131 /nfs/dbraw/zinc/71/41/31/1125714131.db2.gz LEFFIMZILKWXRF-HOTGVXAUSA-N 1 3 373.541 4.424 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CSCCS2)ccc1OC ZINC000183093662 1125749524 /nfs/dbraw/zinc/74/95/24/1125749524.db2.gz WXNKWBOJXIGAMH-YJBOKZPZSA-N 1 3 368.612 4.036 20 0 FIADHO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001208614563 1080018909 /nfs/dbraw/zinc/01/89/09/1080018909.db2.gz FBNJRPIIVGIAGX-QTEQDKRBSA-N 1 3 352.522 4.469 20 0 FIADHO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208614563 1080018914 /nfs/dbraw/zinc/01/89/14/1080018914.db2.gz FBNJRPIIVGIAGX-QTEQDKRBSA-N 1 3 352.522 4.469 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000398107423 1080784147 /nfs/dbraw/zinc/78/41/47/1080784147.db2.gz BZKGGEZKGJTIKC-MQNAVGNWSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000398107423 1080784153 /nfs/dbraw/zinc/78/41/53/1080784153.db2.gz BZKGGEZKGJTIKC-MQNAVGNWSA-N 1 3 350.506 4.270 20 0 FIADHO COc1cc(C)c(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C)n1 ZINC001648795329 1080792312 /nfs/dbraw/zinc/79/23/12/1080792312.db2.gz NCCIUBWPTJAJAM-GOSISDBHSA-N 1 3 367.537 4.371 20 0 FIADHO COc1cc(C)c(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)n1 ZINC001648795329 1080792322 /nfs/dbraw/zinc/79/23/22/1080792322.db2.gz NCCIUBWPTJAJAM-GOSISDBHSA-N 1 3 367.537 4.371 20 0 FIADHO CC(C)(C)c1csc(CNCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397485175 1080999117 /nfs/dbraw/zinc/99/91/17/1080999117.db2.gz AUXJFGBWGVAEHG-UHFFFAOYSA-N 1 3 357.567 4.442 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Oc1ccccc1 ZINC000655704746 1081126431 /nfs/dbraw/zinc/12/64/31/1081126431.db2.gz JZYYWDVDTBKYGL-AZUAARDMSA-N 1 3 366.505 4.383 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC001648814395 1081218996 /nfs/dbraw/zinc/21/89/96/1081218996.db2.gz KZOVUGQOCKETBS-FQEVSTJZSA-N 1 3 357.586 4.130 20 0 FIADHO CN(CCN1CC[NH+](CCC2CCCCCC2)CC1)Cc1ccccc1 ZINC001167337009 1081470120 /nfs/dbraw/zinc/47/01/20/1081470120.db2.gz DLRRVFLBSHHBOU-UHFFFAOYSA-N 1 3 357.586 4.097 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2cnccc2c1 ZINC000683771612 1081532438 /nfs/dbraw/zinc/53/24/38/1081532438.db2.gz XGLGZNQMGMOABG-HROJSSOGSA-N 1 3 359.517 4.481 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2cnccc2c1 ZINC000683771612 1081532443 /nfs/dbraw/zinc/53/24/43/1081532443.db2.gz XGLGZNQMGMOABG-HROJSSOGSA-N 1 3 359.517 4.481 20 0 FIADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000580249321 1081780438 /nfs/dbraw/zinc/78/04/38/1081780438.db2.gz CICCOUJTKOCEOC-WMZHIEFXSA-N 1 3 350.506 4.053 20 0 FIADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580249321 1081780444 /nfs/dbraw/zinc/78/04/44/1081780444.db2.gz CICCOUJTKOCEOC-WMZHIEFXSA-N 1 3 350.506 4.053 20 0 FIADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638064 1082060148 /nfs/dbraw/zinc/06/01/48/1082060148.db2.gz QAHCDRGUGOSIFU-DENIHFKCSA-N 1 3 367.537 4.049 20 0 FIADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638064 1082060155 /nfs/dbraw/zinc/06/01/55/1082060155.db2.gz QAHCDRGUGOSIFU-DENIHFKCSA-N 1 3 367.537 4.049 20 0 FIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000471611342 1082093501 /nfs/dbraw/zinc/09/35/01/1082093501.db2.gz PPQLEUZMJRRHCA-BDTNDASRSA-N 1 3 356.554 4.038 20 0 FIADHO CCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000581100803 1082314045 /nfs/dbraw/zinc/31/40/45/1082314045.db2.gz YCAHFWRXECILSI-YOFSQIOKSA-N 1 3 360.542 4.321 20 0 FIADHO CCCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OCC ZINC000581100803 1082314050 /nfs/dbraw/zinc/31/40/50/1082314050.db2.gz YCAHFWRXECILSI-YOFSQIOKSA-N 1 3 360.542 4.321 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)CC2)c1 ZINC000581517868 1082633576 /nfs/dbraw/zinc/63/35/76/1082633576.db2.gz BLOJQRXOYSLZPN-AVRDEDQJSA-N 1 3 356.554 4.360 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+]CCSCc3ccccc3)C2)cc1 ZINC000430760094 1083154307 /nfs/dbraw/zinc/15/43/07/1083154307.db2.gz QPERIILUCLTANP-JOCHJYFZSA-N 1 3 354.563 4.074 20 0 FIADHO c1cc(-c2nc3ccccc3s2)oc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430933941 1083239832 /nfs/dbraw/zinc/23/98/32/1083239832.db2.gz MYDOUGBXYLWDDH-UHFFFAOYSA-N 1 3 353.491 4.132 20 0 FIADHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OCc1cccs1 ZINC000060816836 1083301198 /nfs/dbraw/zinc/30/11/98/1083301198.db2.gz LKURFFFFGHKAGD-UHFFFAOYSA-N 1 3 362.539 4.013 20 0 FIADHO Cc1cc([C@H](NCC2CC[NH+](CC3CC3)CC2)c2cccnc2)ccc1F ZINC000658356422 1083428452 /nfs/dbraw/zinc/42/84/52/1083428452.db2.gz NXGKBRNICQDSRP-QHCPKHFHSA-N 1 3 367.512 4.330 20 0 FIADHO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548483508 1083467828 /nfs/dbraw/zinc/46/78/28/1083467828.db2.gz ATFUGWZMQXYKNF-GHTZIAJQSA-N 1 3 365.521 4.035 20 0 FIADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1)C(C)C ZINC000548884446 1083505408 /nfs/dbraw/zinc/50/54/08/1083505408.db2.gz GTIBBFOTQTWCBR-UHFFFAOYSA-N 1 3 353.510 4.231 20 0 FIADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1)C(C)C ZINC000548884446 1083505417 /nfs/dbraw/zinc/50/54/17/1083505417.db2.gz GTIBBFOTQTWCBR-UHFFFAOYSA-N 1 3 353.510 4.231 20 0 FIADHO COc1cccc(SCC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001167506050 1084205239 /nfs/dbraw/zinc/20/52/39/1084205239.db2.gz XMODYLRFPMIAGV-FQEVSTJZSA-N 1 3 370.562 4.241 20 0 FIADHO COc1cccc(SCC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001167506050 1084205251 /nfs/dbraw/zinc/20/52/51/1084205251.db2.gz XMODYLRFPMIAGV-FQEVSTJZSA-N 1 3 370.562 4.241 20 0 FIADHO CCCn1nccc1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000657303365 1084343505 /nfs/dbraw/zinc/34/35/05/1084343505.db2.gz NMBDLBDPZTWRDX-UHFFFAOYSA-N 1 3 362.521 4.312 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000414106885 1084580230 /nfs/dbraw/zinc/58/02/30/1084580230.db2.gz YARHSHDONTXDKO-KSZLIROESA-N 1 3 373.566 4.350 20 0 FIADHO Cn1cc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c(C2CC2)n1 ZINC000892540837 1084668769 /nfs/dbraw/zinc/66/87/69/1084668769.db2.gz RJBQYOODRKNHHK-UHFFFAOYSA-N 1 3 374.532 4.316 20 0 FIADHO C[NH+]1CCC(C2CCN(Cc3ccc(F)c(OC(F)(F)F)c3)CC2)CC1 ZINC001143444012 1084815809 /nfs/dbraw/zinc/81/58/09/1084815809.db2.gz XCTVRSQLXIYEQB-UHFFFAOYSA-N 1 3 374.422 4.278 20 0 FIADHO CCC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277067 1084958525 /nfs/dbraw/zinc/95/85/25/1084958525.db2.gz YWOHJSGXMGJGQI-XPWALMASSA-N 1 3 367.537 4.050 20 0 FIADHO CCC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277067 1084958531 /nfs/dbraw/zinc/95/85/31/1084958531.db2.gz YWOHJSGXMGJGQI-XPWALMASSA-N 1 3 367.537 4.050 20 0 FIADHO COc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000582681516 1085367807 /nfs/dbraw/zinc/36/78/07/1085367807.db2.gz YIWUAVMEGBNDOG-SOLBZPMBSA-N 1 3 373.928 4.305 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651720624 1085412088 /nfs/dbraw/zinc/41/20/88/1085412088.db2.gz GKRSYZYIHYXSFU-VAMGGRTRSA-N 1 3 367.537 4.289 20 0 FIADHO CCCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000657612899 1085697566 /nfs/dbraw/zinc/69/75/66/1085697566.db2.gz DRTDYWPHCQLNHA-UHFFFAOYSA-N 1 3 367.537 4.181 20 0 FIADHO c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613837 1085699586 /nfs/dbraw/zinc/69/95/86/1085699586.db2.gz SLNIOOQVXKYVAX-ZEQRLZLVSA-N 1 3 363.549 4.295 20 0 FIADHO FCC[C@@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@@H](CCF)C3)c2)C1 ZINC000661690257 1085731389 /nfs/dbraw/zinc/73/13/89/1085731389.db2.gz OYJSBZIPJNDEGO-OALUTQOASA-N 1 3 365.512 4.225 20 0 FIADHO FCC[C@@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@@H](CCF)C3)c2)C1 ZINC000661690257 1085731400 /nfs/dbraw/zinc/73/14/00/1085731400.db2.gz OYJSBZIPJNDEGO-OALUTQOASA-N 1 3 365.512 4.225 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)c1ccccc1Cl ZINC000582927145 1085929350 /nfs/dbraw/zinc/92/93/50/1085929350.db2.gz STEYOLCBUXAFST-XAMWDVODSA-N 1 3 351.966 4.041 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cnc2ccsc2c1 ZINC000162580659 1086311672 /nfs/dbraw/zinc/31/16/72/1086311672.db2.gz ZMOMFAQXWNRINZ-OAHLLOKOSA-N 1 3 355.507 4.088 20 0 FIADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297817 1086400983 /nfs/dbraw/zinc/40/09/83/1086400983.db2.gz SGXWCTUGXKNSKY-AZUAARDMSA-N 1 3 371.569 4.157 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2Cn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000583290507 1086530423 /nfs/dbraw/zinc/53/04/23/1086530423.db2.gz ZOYHWNOSWSGQQH-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2Cn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000583290507 1086530431 /nfs/dbraw/zinc/53/04/31/1086530431.db2.gz ZOYHWNOSWSGQQH-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H](NC/C=C\c1ccc(F)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511989783 1086582434 /nfs/dbraw/zinc/58/24/34/1086582434.db2.gz MEOUPPNUBBRVBC-ZGYCNENWSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H](NC/C=C\c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989783 1086582443 /nfs/dbraw/zinc/58/24/43/1086582443.db2.gz MEOUPPNUBBRVBC-ZGYCNENWSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000511989783 1086582450 /nfs/dbraw/zinc/58/24/50/1086582450.db2.gz MEOUPPNUBBRVBC-ZGYCNENWSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000511993391 1086599256 /nfs/dbraw/zinc/59/92/56/1086599256.db2.gz XIMQYFAOZPKLHL-QXUSOGCVSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000511993391 1086599264 /nfs/dbraw/zinc/59/92/64/1086599264.db2.gz XIMQYFAOZPKLHL-QXUSOGCVSA-N 1 3 356.460 4.478 20 0 FIADHO CCCCN1CCC([NH2+]Cc2ccc(C)c(Br)c2C)CC1 ZINC001648932930 1086627491 /nfs/dbraw/zinc/62/74/91/1086627491.db2.gz CECOYFQREJGFRM-UHFFFAOYSA-N 1 3 353.348 4.420 20 0 FIADHO CCc1ccc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1 ZINC000512113483 1086782985 /nfs/dbraw/zinc/78/29/85/1086782985.db2.gz DGIYRKPLRGRHQK-OALUTQOASA-N 1 3 351.538 4.412 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1ccc(F)c2Br ZINC000650756036 1086964349 /nfs/dbraw/zinc/96/43/49/1086964349.db2.gz SAVGPJYSRLEJLW-KRWDZBQOSA-N 1 3 363.274 4.085 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000132781379 1087103061 /nfs/dbraw/zinc/10/30/61/1087103061.db2.gz ONESYPRKFNAXKY-INIZCTEOSA-N 1 3 358.913 4.148 20 0 FIADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCCn3nccc32)cc1 ZINC000657832376 1087199213 /nfs/dbraw/zinc/19/92/13/1087199213.db2.gz JFQVJGUCZLIDNY-JOCHJYFZSA-N 1 3 360.505 4.236 20 0 FIADHO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000090936599 1087411105 /nfs/dbraw/zinc/41/11/05/1087411105.db2.gz AGWQLXYDAYOESO-SFHVURJKSA-N 1 3 374.569 4.269 20 0 FIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C(F)F)nc1 ZINC000657869178 1087471145 /nfs/dbraw/zinc/47/11/45/1087471145.db2.gz ZHURQIHOEIGVTB-HNNXBMFYSA-N 1 3 363.452 4.201 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2nn(C)c3ccccc23)CC1)CC(C)C ZINC000685462603 1087575787 /nfs/dbraw/zinc/57/57/87/1087575787.db2.gz DEFFYOBEUIPWDV-UHFFFAOYSA-N 1 3 356.558 4.153 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2nn(C)c3ccccc23)CC1)CC(C)C ZINC000685462603 1087575791 /nfs/dbraw/zinc/57/57/91/1087575791.db2.gz DEFFYOBEUIPWDV-UHFFFAOYSA-N 1 3 356.558 4.153 20 0 FIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccnc3ccccc23)CC1 ZINC000658128201 1087733594 /nfs/dbraw/zinc/73/35/94/1087733594.db2.gz TYBZJLJGFULGBQ-WZONZLPQSA-N 1 3 351.538 4.410 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1F ZINC000658164845 1087760476 /nfs/dbraw/zinc/76/04/76/1087760476.db2.gz FVDVOGCTKMIHRP-OAQYLSRUSA-N 1 3 359.464 4.313 20 0 FIADHO CCO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCCCC2 ZINC000658166761 1087761476 /nfs/dbraw/zinc/76/14/76/1087761476.db2.gz ONHFFQABZVIDTF-VXKWHMMOSA-N 1 3 371.569 4.011 20 0 FIADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCCO2 ZINC000658167303 1087765194 /nfs/dbraw/zinc/76/51/94/1087765194.db2.gz RLMMUJCYRJXGMJ-QFIPXVFZSA-N 1 3 365.521 4.106 20 0 FIADHO c1ccc2c(c1)SCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167228 1087765359 /nfs/dbraw/zinc/76/53/59/1087765359.db2.gz QVDPRPMHBNIWPI-HXUWFJFHSA-N 1 3 353.535 4.120 20 0 FIADHO CC(C)[NH+]1CCN(CCCN([C@@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000472590795 1087874360 /nfs/dbraw/zinc/87/43/60/1087874360.db2.gz OILRTZMNVCJHIO-SFHVURJKSA-N 1 3 363.977 4.282 20 0 FIADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343562 1087953687 /nfs/dbraw/zinc/95/36/87/1087953687.db2.gz FTIAOXXFZRAASJ-VROINQGHSA-N 1 3 356.554 4.082 20 0 FIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000414808550 1088182396 /nfs/dbraw/zinc/18/23/96/1088182396.db2.gz KZNBQNIJXIKOQT-AWEZNQCLSA-N 1 3 374.410 4.201 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258313 1088478394 /nfs/dbraw/zinc/47/83/94/1088478394.db2.gz WNRHHHSZKZNDHZ-LJHODMEESA-N 1 3 359.514 4.093 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258313 1088478399 /nfs/dbraw/zinc/47/83/99/1088478399.db2.gz WNRHHHSZKZNDHZ-LJHODMEESA-N 1 3 359.514 4.093 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258311 1088479068 /nfs/dbraw/zinc/47/90/68/1088479068.db2.gz WNRHHHSZKZNDHZ-BJZITVGISA-N 1 3 359.514 4.093 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258311 1088479076 /nfs/dbraw/zinc/47/90/76/1088479076.db2.gz WNRHHHSZKZNDHZ-BJZITVGISA-N 1 3 359.514 4.093 20 0 FIADHO COc1cccc(COc2cccc(Cl)c2CN[C@H](C)CCC[NH3+])c1 ZINC000415015617 1089043840 /nfs/dbraw/zinc/04/38/40/1089043840.db2.gz AYNUOFLKBHJHSW-OAHLLOKOSA-N 1 3 362.901 4.145 20 0 FIADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000415046866 1089093408 /nfs/dbraw/zinc/09/34/08/1089093408.db2.gz VLDICKKDPIPOLS-RISCZKNCSA-N 1 3 355.429 4.046 20 0 FIADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c(Cl)c1 ZINC000414862623 1089196919 /nfs/dbraw/zinc/19/69/19/1089196919.db2.gz VRFCEFDXYCIYGY-HNNXBMFYSA-N 1 3 351.922 4.007 20 0 FIADHO C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980294 1089735567 /nfs/dbraw/zinc/73/55/67/1089735567.db2.gz MQDDGMXLLGFDIG-MBSDFSHPSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980294 1089735577 /nfs/dbraw/zinc/73/55/77/1089735577.db2.gz MQDDGMXLLGFDIG-MBSDFSHPSA-N 1 3 350.506 4.184 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000314555397 1089966219 /nfs/dbraw/zinc/96/62/19/1089966219.db2.gz SMCALHDNXBEMKY-QGZVFWFLSA-N 1 3 351.332 4.289 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000163937512 1090280128 /nfs/dbraw/zinc/28/01/28/1090280128.db2.gz BICOZYLOIZBTHV-DWXRJYCRSA-N 1 3 370.562 4.261 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759983 1090845116 /nfs/dbraw/zinc/84/51/16/1090845116.db2.gz BOMNJVSWNMSBOW-CVDCTZTESA-N 1 3 370.512 4.200 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759983 1090845135 /nfs/dbraw/zinc/84/51/35/1090845135.db2.gz BOMNJVSWNMSBOW-CVDCTZTESA-N 1 3 370.512 4.200 20 0 FIADHO [NH3+]CCC[C@@H](NCc1ccnc(OCc2ccccc2)c1)c1ccccc1 ZINC000925604903 1090890530 /nfs/dbraw/zinc/89/05/30/1090890530.db2.gz BPJMCPAOJIXTNW-JOCHJYFZSA-N 1 3 361.489 4.230 20 0 FIADHO Cc1ccncc1CCC[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000584871325 1090962026 /nfs/dbraw/zinc/96/20/26/1090962026.db2.gz SPDCCLGFZGTDSX-QFIPXVFZSA-N 1 3 351.538 4.215 20 0 FIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086768 1091029257 /nfs/dbraw/zinc/02/92/57/1091029257.db2.gz DQTKVMDTCRIDQP-FPOVZHCZSA-N 1 3 361.574 4.031 20 0 FIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086768 1091029263 /nfs/dbraw/zinc/02/92/63/1091029263.db2.gz DQTKVMDTCRIDQP-FPOVZHCZSA-N 1 3 361.574 4.031 20 0 FIADHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442872582 1092819802 /nfs/dbraw/zinc/81/98/02/1092819802.db2.gz JUNMTAMBLFEZNC-SFHVURJKSA-N 1 3 371.491 4.162 20 0 FIADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2cccs2)cc1 ZINC000442890525 1092844812 /nfs/dbraw/zinc/84/48/12/1092844812.db2.gz ONFPCDFEXYCOPA-QGZVFWFLSA-N 1 3 357.567 4.092 20 0 FIADHO CC1CC[NH+](Cc2cccc(CNCC3=Cc4ccccc4OC3)c2)CC1 ZINC000521827550 1092931379 /nfs/dbraw/zinc/93/13/79/1092931379.db2.gz PBFHWAOOYNASTA-UHFFFAOYSA-N 1 3 362.517 4.484 20 0 FIADHO C[C@@H]1C[C@@H](NCC[C@@H](O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015829 1093038835 /nfs/dbraw/zinc/03/88/35/1093038835.db2.gz SMWQPCYCNSNXRW-IYRWYFENSA-N 1 3 352.522 4.141 20 0 FIADHO C[C@@H]1C[C@@H](NCC[C@@H](O)c2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015829 1093038845 /nfs/dbraw/zinc/03/88/45/1093038845.db2.gz SMWQPCYCNSNXRW-IYRWYFENSA-N 1 3 352.522 4.141 20 0 FIADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000512634891 1093051267 /nfs/dbraw/zinc/05/12/67/1093051267.db2.gz FSQFWOPKHYGXKU-JMJGKCIBSA-N 1 3 370.581 4.066 20 0 FIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512644196 1093057891 /nfs/dbraw/zinc/05/78/91/1093057891.db2.gz ZZEALLKTKIQGTN-BFRACDOUSA-N 1 3 370.581 4.470 20 0 FIADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512653422 1093079626 /nfs/dbraw/zinc/07/96/26/1093079626.db2.gz FDPWQVLRHVWNDA-BHIFYINESA-N 1 3 356.554 4.084 20 0 FIADHO CCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000512659448 1093095311 /nfs/dbraw/zinc/09/53/11/1093095311.db2.gz HATYFYVYOVJUAI-FDFHNCONSA-N 1 3 356.554 4.084 20 0 FIADHO CC(C)C[C@H](CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000474149744 1093466058 /nfs/dbraw/zinc/46/60/58/1093466058.db2.gz JREQVDQYHCEHOT-CQOQZXRMSA-N 1 3 371.613 4.307 20 0 FIADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000116078970 1094391518 /nfs/dbraw/zinc/39/15/18/1094391518.db2.gz RZDZMHXQGGRHRT-UHFFFAOYSA-N 1 3 363.505 4.131 20 0 FIADHO CN1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000513703686 1094410407 /nfs/dbraw/zinc/41/04/07/1094410407.db2.gz YTAFXKCLPSWFPR-FSSWDIPSSA-N 1 3 350.506 4.195 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(F)cn23)C[C@H](C)N1Cc1ccccc1 ZINC001168039672 1094450475 /nfs/dbraw/zinc/45/04/75/1094450475.db2.gz HALMYMZOCXORGD-XEMDLRDOSA-N 1 3 366.484 4.005 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H]2CCc3c2cccc3O)C[C@@H](C)N1Cc1ccccc1 ZINC001168040205 1094497408 /nfs/dbraw/zinc/49/74/08/1094497408.db2.gz KZSIOIHMLYFVHV-DRSNIGMVSA-N 1 3 350.506 4.411 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501137698 1094524932 /nfs/dbraw/zinc/52/49/32/1094524932.db2.gz WJDKYVMIUPTRIT-MRXNPFEDSA-N 1 3 372.384 4.402 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501137698 1094524937 /nfs/dbraw/zinc/52/49/37/1094524937.db2.gz WJDKYVMIUPTRIT-MRXNPFEDSA-N 1 3 372.384 4.402 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@H+](C)C(C)C ZINC000467295215 1094567731 /nfs/dbraw/zinc/56/77/31/1094567731.db2.gz KNHNSYNGASRXCU-NRFANRHFSA-N 1 3 356.485 4.452 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@@H+](C)C(C)C ZINC000467295215 1094567745 /nfs/dbraw/zinc/56/77/45/1094567745.db2.gz KNHNSYNGASRXCU-NRFANRHFSA-N 1 3 356.485 4.452 20 0 FIADHO CC(C)C[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000474935484 1094933726 /nfs/dbraw/zinc/93/37/26/1094933726.db2.gz VEOCRKZRYNZNJU-HSZRJFAPSA-N 1 3 371.613 4.166 20 0 FIADHO CCCCCN1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168051346 1095806472 /nfs/dbraw/zinc/80/64/72/1095806472.db2.gz HPKXTKQDVCQABF-NHCUHLMSSA-N 1 3 357.586 4.236 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000421827993 1095939606 /nfs/dbraw/zinc/93/96/06/1095939606.db2.gz ALUMRHGBFMCODA-GJYPPUQNSA-N 1 3 368.949 4.136 20 0 FIADHO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000421838992 1095964068 /nfs/dbraw/zinc/96/40/68/1095964068.db2.gz WBXKGZDDZFEOFR-CYBMUJFWSA-N 1 3 350.865 4.400 20 0 FIADHO C[NH2+]CCC1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000414668067 1096394189 /nfs/dbraw/zinc/39/41/89/1096394189.db2.gz ZCAFTYKPMFKOKK-UHFFFAOYSA-N 1 3 355.507 4.378 20 0 FIADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422732375 1096465114 /nfs/dbraw/zinc/46/51/14/1096465114.db2.gz PTEPOLOLCITCRB-RTBURBONSA-N 1 3 370.368 4.207 20 0 FIADHO CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OCC ZINC000422760523 1096476040 /nfs/dbraw/zinc/47/60/40/1096476040.db2.gz QFWJWPYTLKBJCI-CABCVRRESA-N 1 3 357.498 4.058 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000422742736 1096478420 /nfs/dbraw/zinc/47/84/20/1096478420.db2.gz HABDFOQNRSAFOW-OXQOHEQNSA-N 1 3 372.582 4.034 20 0 FIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(-c2ccncc2)cc1 ZINC000422754777 1096483885 /nfs/dbraw/zinc/48/38/85/1096483885.db2.gz ATTZZNFQFNTTNW-ISKFKSNPSA-N 1 3 371.484 4.094 20 0 FIADHO CC(C)[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422778318 1096489235 /nfs/dbraw/zinc/48/92/35/1096489235.db2.gz DJOFLKXTKZBWHY-BAGYTPMASA-N 1 3 354.469 4.368 20 0 FIADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000422807138 1096496413 /nfs/dbraw/zinc/49/64/13/1096496413.db2.gz OMACGXJWFKTIBW-FIKMYACPSA-N 1 3 374.431 4.195 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000422877047 1096510239 /nfs/dbraw/zinc/51/02/39/1096510239.db2.gz HGRWRSIDSYUFAG-QGZVFWFLSA-N 1 3 361.489 4.279 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422925096 1096525779 /nfs/dbraw/zinc/52/57/79/1096525779.db2.gz VBVHYYSJBCSRJU-IRXDYDNUSA-N 1 3 352.526 4.396 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422925096 1096525789 /nfs/dbraw/zinc/52/57/89/1096525789.db2.gz VBVHYYSJBCSRJU-IRXDYDNUSA-N 1 3 352.526 4.396 20 0 FIADHO Cc1sc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422925644 1096526335 /nfs/dbraw/zinc/52/63/35/1096526335.db2.gz BWXIMSLTHBKBPX-GUDVDZBRSA-N 1 3 355.551 4.171 20 0 FIADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423026703 1096553616 /nfs/dbraw/zinc/55/36/16/1096553616.db2.gz CACNADUFVBHXFL-OALUTQOASA-N 1 3 370.368 4.207 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(Br)s1 ZINC000423060131 1096560431 /nfs/dbraw/zinc/56/04/31/1096560431.db2.gz NSJNHAGBFXFHPB-GXSJLCMTSA-N 1 3 354.317 4.085 20 0 FIADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000423115669 1096577692 /nfs/dbraw/zinc/57/76/92/1096577692.db2.gz YGUUZKOJTFJWEU-MIUUVFJNSA-N 1 3 358.570 4.352 20 0 FIADHO COc1ccc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423239578 1096617926 /nfs/dbraw/zinc/61/79/26/1096617926.db2.gz BJKVOEUTDVMGFE-YCRPNKLZSA-N 1 3 374.912 4.036 20 0 FIADHO COc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423239576 1096617953 /nfs/dbraw/zinc/61/79/53/1096617953.db2.gz BJKVOEUTDVMGFE-VFNWGFHPSA-N 1 3 374.912 4.036 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000423290426 1096636185 /nfs/dbraw/zinc/63/61/85/1096636185.db2.gz CXGJZLNMUPOLDH-BBATYDOGSA-N 1 3 363.274 4.385 20 0 FIADHO [NH3+]CCCCN[C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423316451 1096642561 /nfs/dbraw/zinc/64/25/61/1096642561.db2.gz BOCXMWASDVOOBC-QGZVFWFLSA-N 1 3 351.263 4.006 20 0 FIADHO [NH3+]CCCCN[C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423331327 1096648648 /nfs/dbraw/zinc/64/86/48/1096648648.db2.gz PWEMYUHYPBHGMC-QGZVFWFLSA-N 1 3 351.263 4.006 20 0 FIADHO C[C@H](CCCC(F)(F)F)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423360028 1096657149 /nfs/dbraw/zinc/65/71/49/1096657149.db2.gz FEUVFVWVWFHAKY-KFNAQCHYSA-N 1 3 350.375 4.121 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CCN[C@@H](C)C2)nc1 ZINC000423390041 1096664097 /nfs/dbraw/zinc/66/40/97/1096664097.db2.gz VOVXMVFZKGMVGQ-USCONSEESA-N 1 3 371.956 4.181 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000423390041 1096664100 /nfs/dbraw/zinc/66/41/00/1096664100.db2.gz VOVXMVFZKGMVGQ-USCONSEESA-N 1 3 371.956 4.181 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCC(F)(F)CC1 ZINC000423471478 1096694389 /nfs/dbraw/zinc/69/43/89/1096694389.db2.gz MESVBQNZCAIBDZ-UCLAIMLFSA-N 1 3 354.460 4.322 20 0 FIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423454004 1096699273 /nfs/dbraw/zinc/69/92/73/1096699273.db2.gz LFYSXRFTMWYMBA-UGSOOPFHSA-N 1 3 365.290 4.395 20 0 FIADHO Cc1c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000423503602 1096701133 /nfs/dbraw/zinc/70/11/33/1096701133.db2.gz MWEAJRYMNDAWLE-OPAMFIHVSA-N 1 3 366.484 4.451 20 0 FIADHO COC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423518084 1096712338 /nfs/dbraw/zinc/71/23/38/1096712338.db2.gz ZFXKQCBTQSGIQX-RTBURBONSA-N 1 3 366.427 4.463 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447233 1099072066 /nfs/dbraw/zinc/07/20/66/1099072066.db2.gz PKNCLIJZTXZWHN-KBPBESRZSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447233 1099072078 /nfs/dbraw/zinc/07/20/78/1099072078.db2.gz PKNCLIJZTXZWHN-KBPBESRZSA-N 1 3 372.340 4.127 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)ccc1SC ZINC000162516997 1099824031 /nfs/dbraw/zinc/82/40/31/1099824031.db2.gz VQFXBDLSUDMTPN-MRXNPFEDSA-N 1 3 374.550 4.208 20 0 FIADHO C[C@H]([NH2+]CCc1nc2ccccc2s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508691803 1099824176 /nfs/dbraw/zinc/82/41/76/1099824176.db2.gz QEPKUATUQSQHRB-HKUYNNGSSA-N 1 3 365.546 4.339 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693185 1099824899 /nfs/dbraw/zinc/82/48/99/1099824899.db2.gz AFNKZPUQHSWWJZ-HBFSDRIKSA-N 1 3 356.485 4.093 20 0 FIADHO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508709835 1099899942 /nfs/dbraw/zinc/89/99/42/1099899942.db2.gz JWNLOLYUTWNSMH-ZNEWLNCYSA-N 1 3 364.533 4.407 20 0 FIADHO CCOc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC(F)F ZINC000536652204 1100105383 /nfs/dbraw/zinc/10/53/83/1100105383.db2.gz NKGXNFSPJZEHLA-UHFFFAOYSA-N 1 3 370.484 4.239 20 0 FIADHO CCOc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC(F)F ZINC000536652204 1100105393 /nfs/dbraw/zinc/10/53/93/1100105393.db2.gz NKGXNFSPJZEHLA-UHFFFAOYSA-N 1 3 370.484 4.239 20 0 FIADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459438144 1100193456 /nfs/dbraw/zinc/19/34/56/1100193456.db2.gz ZTYHTPVGJWIEHD-OYNPSCLESA-N 1 3 362.583 4.035 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cc1OC ZINC000379625510 1100222248 /nfs/dbraw/zinc/22/22/48/1100222248.db2.gz FTKGDRYMPCTUHC-ZWKOTPCHSA-N 1 3 356.510 4.265 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000536847763 1100359414 /nfs/dbraw/zinc/35/94/14/1100359414.db2.gz WSZGXAUKEDUZDY-CVDCTZTESA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000536847763 1100359425 /nfs/dbraw/zinc/35/94/25/1100359425.db2.gz WSZGXAUKEDUZDY-CVDCTZTESA-N 1 3 374.532 4.181 20 0 FIADHO COc1cc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1OCC(C)C ZINC000537108126 1101475627 /nfs/dbraw/zinc/47/56/27/1101475627.db2.gz DCOYETOKMWLZEX-QGZVFWFLSA-N 1 3 360.542 4.255 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Cl)nc1 ZINC000760161472 1101478302 /nfs/dbraw/zinc/47/83/02/1101478302.db2.gz WWMIXLXEJGCCHC-INIZCTEOSA-N 1 3 359.901 4.060 20 0 FIADHO COc1cc(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccc1O ZINC000648455630 1101838929 /nfs/dbraw/zinc/83/89/29/1101838929.db2.gz FVMFOLCJVBBDOD-UHFFFAOYSA-N 1 3 362.558 4.212 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131444 1101970669 /nfs/dbraw/zinc/97/06/69/1101970669.db2.gz JSDIMCHOSGUVEE-LVCYWYKZSA-N 1 3 366.505 4.019 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000398131444 1101970673 /nfs/dbraw/zinc/97/06/73/1101970673.db2.gz JSDIMCHOSGUVEE-LVCYWYKZSA-N 1 3 366.505 4.019 20 0 FIADHO Cc1ccc2c(ccc(C)c2CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC001168284808 1102159226 /nfs/dbraw/zinc/15/92/26/1102159226.db2.gz NUGWBBOJSAKTFP-WWPVKYPJSA-N 1 3 352.522 4.140 20 0 FIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000532451807 1102344910 /nfs/dbraw/zinc/34/49/10/1102344910.db2.gz DPFZSZWLOCPYRP-SFHVURJKSA-N 1 3 369.322 4.286 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2c3cc(Br)ccc3SC[C@H]2C)CC[N@@H+]1C ZINC000532483212 1102424698 /nfs/dbraw/zinc/42/46/98/1102424698.db2.gz ZALBTJIERXERET-CTWCOEIASA-N 1 3 369.372 4.304 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2c3cc(Br)ccc3SC[C@H]2C)CC[N@H+]1C ZINC000532483212 1102424702 /nfs/dbraw/zinc/42/47/02/1102424702.db2.gz ZALBTJIERXERET-CTWCOEIASA-N 1 3 369.372 4.304 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000121791820 1102437714 /nfs/dbraw/zinc/43/77/14/1102437714.db2.gz XVXOWEHJHRUBSR-QFIPXVFZSA-N 1 3 350.506 4.240 20 0 FIADHO c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]CC2=Cc4ccccc4OC2)C3)cc1 ZINC000111391478 1102534596 /nfs/dbraw/zinc/53/45/96/1102534596.db2.gz SOHCCDRLOFYWAV-NOTZXAQLSA-N 1 3 360.501 4.248 20 0 FIADHO C[C@H]1C[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303782523 1102563301 /nfs/dbraw/zinc/56/33/01/1102563301.db2.gz STNWOJGYJQFMSN-RDPSFJRHSA-N 1 3 374.532 4.357 20 0 FIADHO C[C@H]1C[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000303782523 1102563313 /nfs/dbraw/zinc/56/33/13/1102563313.db2.gz STNWOJGYJQFMSN-RDPSFJRHSA-N 1 3 374.532 4.357 20 0 FIADHO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881687 1102651413 /nfs/dbraw/zinc/65/14/13/1102651413.db2.gz BDYZAMNLLFVBIF-REWPJTCUSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881687 1102651417 /nfs/dbraw/zinc/65/14/17/1102651417.db2.gz BDYZAMNLLFVBIF-REWPJTCUSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881687 1102651426 /nfs/dbraw/zinc/65/14/26/1102651426.db2.gz BDYZAMNLLFVBIF-REWPJTCUSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887727 1102658360 /nfs/dbraw/zinc/65/83/60/1102658360.db2.gz ZFQBEMGUCRXEAO-AZUAARDMSA-N 1 3 370.562 4.328 20 0 FIADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887727 1102658365 /nfs/dbraw/zinc/65/83/65/1102658365.db2.gz ZFQBEMGUCRXEAO-AZUAARDMSA-N 1 3 370.562 4.328 20 0 FIADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887727 1102658368 /nfs/dbraw/zinc/65/83/68/1102658368.db2.gz ZFQBEMGUCRXEAO-AZUAARDMSA-N 1 3 370.562 4.328 20 0 FIADHO CC(C)CC[NH+]1CCC(CNCc2conc2Cc2ccccc2)CC1 ZINC000550174604 1102658394 /nfs/dbraw/zinc/65/83/94/1102658394.db2.gz KZYZEGWCJOTHIJ-UHFFFAOYSA-N 1 3 355.526 4.113 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007039 1102758805 /nfs/dbraw/zinc/75/88/05/1102758805.db2.gz CJCMUSGMYRALRJ-YADHBBJMSA-N 1 3 365.521 4.350 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007039 1102758817 /nfs/dbraw/zinc/75/88/17/1102758817.db2.gz CJCMUSGMYRALRJ-YADHBBJMSA-N 1 3 365.521 4.350 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@]1(C)CCCO1 ZINC000551030141 1102808116 /nfs/dbraw/zinc/80/81/16/1102808116.db2.gz XYCVWGVCRQWSGD-UZLBHIALSA-N 1 3 350.934 4.099 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@]1(C)CCCO1 ZINC000551030138 1102808196 /nfs/dbraw/zinc/80/81/96/1102808196.db2.gz XYCVWGVCRQWSGD-JXFKEZNVSA-N 1 3 350.934 4.099 20 0 FIADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550269991 1102894555 /nfs/dbraw/zinc/89/45/55/1102894555.db2.gz DSIXPJMPYNOAPN-PUHATCMVSA-N 1 3 370.581 4.331 20 0 FIADHO CO[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087732 1102905594 /nfs/dbraw/zinc/90/55/94/1102905594.db2.gz ZIVADIBLRLFMAF-PCCBWWKXSA-N 1 3 358.913 4.453 20 0 FIADHO CO[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087732 1102905601 /nfs/dbraw/zinc/90/56/01/1102905601.db2.gz ZIVADIBLRLFMAF-PCCBWWKXSA-N 1 3 358.913 4.453 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000506934226 1102970419 /nfs/dbraw/zinc/97/04/19/1102970419.db2.gz YOJRNNDLWNOJKS-UHFFFAOYSA-N 1 3 355.501 4.442 20 0 FIADHO c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507459367 1103404331 /nfs/dbraw/zinc/40/43/31/1103404331.db2.gz FUGPYZVKESFTKZ-BGWNEDDSSA-N 1 3 359.517 4.211 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000507484041 1103431461 /nfs/dbraw/zinc/43/14/61/1103431461.db2.gz IRXKAQYCTOCPCH-FWKCKQQBSA-N 1 3 356.554 4.080 20 0 FIADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCS2 ZINC000427542101 1103636441 /nfs/dbraw/zinc/63/64/41/1103636441.db2.gz VBSVYMCDFFWFOV-NSHGMRRFSA-N 1 3 362.583 4.319 20 0 FIADHO Cc1nccnc1[C@@H](C)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000187991395 1103731851 /nfs/dbraw/zinc/73/18/51/1103731851.db2.gz OUQXDMADUJMCME-LJQANCHMSA-N 1 3 366.553 4.171 20 0 FIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)CC1 ZINC000519639372 1103760084 /nfs/dbraw/zinc/76/00/84/1103760084.db2.gz CHZAWQFFDHTKEO-UHFFFAOYSA-N 1 3 371.569 4.253 20 0 FIADHO COC[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000538206175 1104047981 /nfs/dbraw/zinc/04/79/81/1104047981.db2.gz GZSSZVKAYYMOIN-GQIGUUNPSA-N 1 3 354.485 4.000 20 0 FIADHO COC[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000538206175 1104047994 /nfs/dbraw/zinc/04/79/94/1104047994.db2.gz GZSSZVKAYYMOIN-GQIGUUNPSA-N 1 3 354.485 4.000 20 0 FIADHO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538262005 1104067629 /nfs/dbraw/zinc/06/76/29/1104067629.db2.gz DONXBMFKEWCTQI-LAUBAEHRSA-N 1 3 368.496 4.335 20 0 FIADHO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538262006 1104067987 /nfs/dbraw/zinc/06/79/87/1104067987.db2.gz DONXBMFKEWCTQI-UTKZUKDTSA-N 1 3 368.496 4.335 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2s1 ZINC000188244089 1104091670 /nfs/dbraw/zinc/09/16/70/1104091670.db2.gz PBGLPAFLCDRNNL-SNRMKQJTSA-N 1 3 358.551 4.320 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394329 1104328233 /nfs/dbraw/zinc/32/82/33/1104328233.db2.gz OHRBHWPSYDOZFQ-SIXWZSSISA-N 1 3 350.453 4.298 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441394329 1104328242 /nfs/dbraw/zinc/32/82/42/1104328242.db2.gz OHRBHWPSYDOZFQ-SIXWZSSISA-N 1 3 350.453 4.298 20 0 FIADHO Fc1ccccc1CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994420 1104491101 /nfs/dbraw/zinc/49/11/01/1104491101.db2.gz CXJGVCSVBBMHPL-CBQGHPETSA-N 1 3 356.529 4.486 20 0 FIADHO Fc1ccccc1CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994420 1104491107 /nfs/dbraw/zinc/49/11/07/1104491107.db2.gz CXJGVCSVBBMHPL-CBQGHPETSA-N 1 3 356.529 4.486 20 0 FIADHO Fc1ccccc1CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167994420 1104491114 /nfs/dbraw/zinc/49/11/14/1104491114.db2.gz CXJGVCSVBBMHPL-CBQGHPETSA-N 1 3 356.529 4.486 20 0 FIADHO c1ccc2cc(OCCN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425128 1104563295 /nfs/dbraw/zinc/56/32/95/1104563295.db2.gz WOHDMGVPPHCSHQ-REWPJTCUSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2cc(OCCN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425128 1104563304 /nfs/dbraw/zinc/56/33/04/1104563304.db2.gz WOHDMGVPPHCSHQ-REWPJTCUSA-N 1 3 350.506 4.167 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(CO)c1 ZINC000536308610 1104660598 /nfs/dbraw/zinc/66/05/98/1104660598.db2.gz OGMAVMJMVSIKEC-RBUKOAKNSA-N 1 3 352.522 4.404 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(CO)c1 ZINC000536308610 1104660600 /nfs/dbraw/zinc/66/06/00/1104660600.db2.gz OGMAVMJMVSIKEC-RBUKOAKNSA-N 1 3 352.522 4.404 20 0 FIADHO COc1cccc(C[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)c1 ZINC001168003025 1104994023 /nfs/dbraw/zinc/99/40/23/1104994023.db2.gz ILCQRFFVRASRBX-SSWODZADSA-N 1 3 368.565 4.355 20 0 FIADHO COc1cccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)c1 ZINC001168003025 1104994024 /nfs/dbraw/zinc/99/40/24/1104994024.db2.gz ILCQRFFVRASRBX-SSWODZADSA-N 1 3 368.565 4.355 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000388829655 1105044766 /nfs/dbraw/zinc/04/47/66/1105044766.db2.gz WZJIUXFKGGPFMS-ABSDTBQOSA-N 1 3 356.485 4.396 20 0 FIADHO C[C@H]1CC(NCCOCc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168010061 1105231068 /nfs/dbraw/zinc/23/10/68/1105231068.db2.gz IZZJFTKMKVWJGB-PMACEKPBSA-N 1 3 352.522 4.234 20 0 FIADHO CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168010720 1105301858 /nfs/dbraw/zinc/30/18/58/1105301858.db2.gz KTTOWCAFOUVVKR-FEJSZKPUSA-N 1 3 365.521 4.176 20 0 FIADHO CC(=O)Nc1cccc(C[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)c1 ZINC001168010721 1105302361 /nfs/dbraw/zinc/30/23/61/1105302361.db2.gz KTTOWCAFOUVVKR-QZTJIDSGSA-N 1 3 365.521 4.176 20 0 FIADHO FC(F)(F)C[C@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092659 /nfs/dbraw/zinc/09/26/59/1108092659.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092675 /nfs/dbraw/zinc/09/26/75/1108092675.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@H]1CC[N@@H+](C/C=C\CN2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092691 /nfs/dbraw/zinc/09/26/91/1108092691.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@H]1CC[N@H+](C/C=C\CN2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689653 1108092707 /nfs/dbraw/zinc/09/27/07/1108092707.db2.gz GPEXYPOOJRBXIA-YZRRVPADSA-N 1 3 358.370 4.091 20 0 FIADHO CCC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000453213570 1108282942 /nfs/dbraw/zinc/28/29/42/1108282942.db2.gz APFMPANFOGJRHN-GOTSBHOMSA-N 1 3 370.581 4.474 20 0 FIADHO C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000453265838 1108340307 /nfs/dbraw/zinc/34/03/07/1108340307.db2.gz DBAOKAPCQAEVTB-CBGDNZLLSA-N 1 3 354.494 4.190 20 0 FIADHO FCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000453316457 1108406317 /nfs/dbraw/zinc/40/63/17/1108406317.db2.gz WVOFXCWRWJQXOW-FDFHNCONSA-N 1 3 374.544 4.033 20 0 FIADHO CO[C@@](C)(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319426 1108408215 /nfs/dbraw/zinc/40/82/15/1108408215.db2.gz KUDADVQDLHAFNJ-XQUALCHDSA-N 1 3 364.533 4.333 20 0 FIADHO CO[C@@](C)(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319426 1108408221 /nfs/dbraw/zinc/40/82/21/1108408221.db2.gz KUDADVQDLHAFNJ-XQUALCHDSA-N 1 3 364.533 4.333 20 0 FIADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835789 1109356053 /nfs/dbraw/zinc/35/60/53/1109356053.db2.gz QLHSPOKCKRRKEO-JTSKRJEESA-N 1 3 366.530 4.189 20 0 FIADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835789 1109356059 /nfs/dbraw/zinc/35/60/59/1109356059.db2.gz QLHSPOKCKRRKEO-JTSKRJEESA-N 1 3 366.530 4.189 20 0 FIADHO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)CC1 ZINC000525490641 1109401465 /nfs/dbraw/zinc/40/14/65/1109401465.db2.gz IVJUUNUIUQISBM-UHFFFAOYSA-N 1 3 365.521 4.232 20 0 FIADHO C[N@@H+]1CCC[C@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697387 1109481888 /nfs/dbraw/zinc/48/18/88/1109481888.db2.gz RPVFLROBUOATGO-WIYYLYMNSA-N 1 3 354.519 4.197 20 0 FIADHO C[N@H+]1CCC[C@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1cccs1 ZINC000525697387 1109481890 /nfs/dbraw/zinc/48/18/90/1109481890.db2.gz RPVFLROBUOATGO-WIYYLYMNSA-N 1 3 354.519 4.197 20 0 FIADHO Cc1cc([C@H](NCC2CC[NH+](C3CC3)CC2)c2cccnc2)ccc1F ZINC000447556973 1109580023 /nfs/dbraw/zinc/58/00/23/1109580023.db2.gz ILEXMWXDWGTVJG-QFIPXVFZSA-N 1 3 353.485 4.083 20 0 FIADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](c2ccsc2)N(C)C)CC1 ZINC000449070796 1109972448 /nfs/dbraw/zinc/97/24/48/1109972448.db2.gz LKRNDJRGAHGQOB-AVRDEDQJSA-N 1 3 371.594 4.036 20 0 FIADHO COCC1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000449123580 1109980972 /nfs/dbraw/zinc/98/09/72/1109980972.db2.gz CWZTUNZOLDUOIH-UHFFFAOYSA-N 1 3 364.961 4.347 20 0 FIADHO CC[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217388 1109999345 /nfs/dbraw/zinc/99/93/45/1109999345.db2.gz YVOSTITVVDSQAN-KKSFZXQISA-N 1 3 355.526 4.428 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343627 1110034959 /nfs/dbraw/zinc/03/49/59/1110034959.db2.gz LXEBUXIIVXIMIV-YADHBBJMSA-N 1 3 368.565 4.228 20 0 FIADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000449343238 1110035058 /nfs/dbraw/zinc/03/50/58/1110035058.db2.gz IXGLJMWFHLZNFB-PKTZIBPZSA-N 1 3 370.581 4.474 20 0 FIADHO CCOc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000538730763 1111267179 /nfs/dbraw/zinc/26/71/79/1111267179.db2.gz NBJIAUTYZPOTOX-NRFANRHFSA-N 1 3 368.521 4.048 20 0 FIADHO CCOc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000538730763 1111267182 /nfs/dbraw/zinc/26/71/82/1111267182.db2.gz NBJIAUTYZPOTOX-NRFANRHFSA-N 1 3 368.521 4.048 20 0 FIADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCCc3ccc(Cl)cc32)ccn1 ZINC000539047292 1111411417 /nfs/dbraw/zinc/41/14/17/1111411417.db2.gz MZZJQYOSLHKFCQ-HXUWFJFHSA-N 1 3 373.928 4.233 20 0 FIADHO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000552056187 1111560095 /nfs/dbraw/zinc/56/00/95/1111560095.db2.gz VWGDNNFWMGWYJE-OEMFJLHTSA-N 1 3 363.549 4.213 20 0 FIADHO CC(C)Cc1cccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000552061393 1111562427 /nfs/dbraw/zinc/56/24/27/1111562427.db2.gz IXQGWRKFYKPTFC-GOSISDBHSA-N 1 3 355.526 4.071 20 0 FIADHO C[C@@H](O)[C@@](C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)Cc1ccccc1 ZINC000477854496 1111578674 /nfs/dbraw/zinc/57/86/74/1111578674.db2.gz BKXPEKXQYMKZRY-MYSJAJEPSA-N 1 3 372.597 4.249 20 0 FIADHO C[C@H](O)[C@](C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)Cc1ccccc1 ZINC000477854499 1111578766 /nfs/dbraw/zinc/57/87/66/1111578766.db2.gz BKXPEKXQYMKZRY-SHBJFUFKSA-N 1 3 372.597 4.249 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477942195 1111615939 /nfs/dbraw/zinc/61/59/39/1111615939.db2.gz SVYPXQCXAADUEJ-SFHVURJKSA-N 1 3 359.558 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477942195 1111615943 /nfs/dbraw/zinc/61/59/43/1111615943.db2.gz SVYPXQCXAADUEJ-SFHVURJKSA-N 1 3 359.558 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000477942193 1111616138 /nfs/dbraw/zinc/61/61/38/1111616138.db2.gz SVYPXQCXAADUEJ-GOSISDBHSA-N 1 3 359.558 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477942193 1111616143 /nfs/dbraw/zinc/61/61/43/1111616143.db2.gz SVYPXQCXAADUEJ-GOSISDBHSA-N 1 3 359.558 4.239 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000479355733 1111997285 /nfs/dbraw/zinc/99/72/85/1111997285.db2.gz HAQVJOYKIVVGMC-QFIPXVFZSA-N 1 3 360.505 4.101 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CCCC2)CCC3)cc1 ZINC000480162781 1112310515 /nfs/dbraw/zinc/31/05/15/1112310515.db2.gz LMDPIMNAQIMNDZ-GOSISDBHSA-N 1 3 371.550 4.272 20 0 FIADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000480212270 1112333551 /nfs/dbraw/zinc/33/35/51/1112333551.db2.gz FZZPHGWCKHZKED-WMZHIEFXSA-N 1 3 374.532 4.028 20 0 FIADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000480212270 1112333556 /nfs/dbraw/zinc/33/35/56/1112333556.db2.gz FZZPHGWCKHZKED-WMZHIEFXSA-N 1 3 374.532 4.028 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000480644117 1112519387 /nfs/dbraw/zinc/51/93/87/1112519387.db2.gz IJHCNHUCZRJTKR-GASCZTMLSA-N 1 3 364.942 4.301 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccc(CNCc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000480644117 1112519391 /nfs/dbraw/zinc/51/93/91/1112519391.db2.gz IJHCNHUCZRJTKR-GASCZTMLSA-N 1 3 364.942 4.301 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480810376 1112615646 /nfs/dbraw/zinc/61/56/46/1112615646.db2.gz DYVQUYMOWXFHPL-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480810376 1112615650 /nfs/dbraw/zinc/61/56/50/1112615650.db2.gz DYVQUYMOWXFHPL-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc(C)c1F ZINC000480876872 1112651315 /nfs/dbraw/zinc/65/13/15/1112651315.db2.gz IBARZDCGCRHUBT-LJQANCHMSA-N 1 3 369.528 4.041 20 0 FIADHO COCCC[NH+]1CCC(N[C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000481943300 1113136015 /nfs/dbraw/zinc/13/60/15/1113136015.db2.gz IPKKYNLVLTZNDR-HXUWFJFHSA-N 1 3 350.934 4.198 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333085 1113227944 /nfs/dbraw/zinc/22/79/44/1113227944.db2.gz ZCYABYSJPOXUOV-JKSUJKDBSA-N 1 3 358.448 4.399 20 0 FIADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482445205 1113258549 /nfs/dbraw/zinc/25/85/49/1113258549.db2.gz AQDWNMJARJFAAJ-FPOVZHCZSA-N 1 3 352.522 4.301 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000483137037 1113446364 /nfs/dbraw/zinc/44/63/64/1113446364.db2.gz SZXDMYGEAAPVQU-LMMKCTJWSA-N 1 3 364.599 4.415 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000483137037 1113446366 /nfs/dbraw/zinc/44/63/66/1113446366.db2.gz SZXDMYGEAAPVQU-LMMKCTJWSA-N 1 3 364.599 4.415 20 0 FIADHO CN(C(=O)OC(C)(C)C)c1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168370886 1113546404 /nfs/dbraw/zinc/54/64/04/1113546404.db2.gz HUBNYBGTVORYQQ-UHFFFAOYSA-N 1 3 373.541 4.022 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000570508507 1114133535 /nfs/dbraw/zinc/13/35/35/1114133535.db2.gz AIVLJWKQINOLNF-UHFFFAOYSA-N 1 3 366.553 4.402 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000570508507 1114133538 /nfs/dbraw/zinc/13/35/38/1114133538.db2.gz AIVLJWKQINOLNF-UHFFFAOYSA-N 1 3 366.553 4.402 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000588708660 1114601464 /nfs/dbraw/zinc/60/14/64/1114601464.db2.gz BLTINWDAFLDWIS-HZPDHXFCSA-N 1 3 370.459 4.027 20 0 FIADHO CSc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000572895396 1114805357 /nfs/dbraw/zinc/80/53/57/1114805357.db2.gz WLOITPPZQXYGJA-HZPDHXFCSA-N 1 3 368.612 4.181 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641841 1114820256 /nfs/dbraw/zinc/82/02/56/1114820256.db2.gz QKRNCHBBTYRXJQ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641841 1114820261 /nfs/dbraw/zinc/82/02/61/1114820261.db2.gz QKRNCHBBTYRXJQ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641841 1114820266 /nfs/dbraw/zinc/82/02/66/1114820266.db2.gz QKRNCHBBTYRXJQ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641841 1114820272 /nfs/dbraw/zinc/82/02/72/1114820272.db2.gz QKRNCHBBTYRXJQ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO COc1cc(C[NH2+]CCCN2CCCCC2)c(-c2ccccc2)cc1OC ZINC000589833041 1114846507 /nfs/dbraw/zinc/84/65/07/1114846507.db2.gz KEOCYSQCQMDFIG-UHFFFAOYSA-N 1 3 368.521 4.336 20 0 FIADHO COc1cccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000669683864 1115779676 /nfs/dbraw/zinc/77/96/76/1115779676.db2.gz YTDFSULSLHMRBH-PKOBYXMFSA-N 1 3 356.485 4.225 20 0 FIADHO COc1cccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683864 1115779677 /nfs/dbraw/zinc/77/96/77/1115779677.db2.gz YTDFSULSLHMRBH-PKOBYXMFSA-N 1 3 356.485 4.225 20 0 FIADHO Cc1nc2ccccn2c1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000539831739 1116388561 /nfs/dbraw/zinc/38/85/61/1116388561.db2.gz DPDKPTLAXZWULO-RXVVDRJESA-N 1 3 362.521 4.128 20 0 FIADHO Cc1nc2ccccn2c1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000539831739 1116388563 /nfs/dbraw/zinc/38/85/63/1116388563.db2.gz DPDKPTLAXZWULO-RXVVDRJESA-N 1 3 362.521 4.128 20 0 FIADHO CCCn1nc(C)c(C[N@H+](CC)C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000539863338 1116392587 /nfs/dbraw/zinc/39/25/87/1116392587.db2.gz WHZCKLNNDJEYDM-JOCHJYFZSA-N 1 3 368.569 4.254 20 0 FIADHO CCCn1nc(C)c(C[N@@H+](CC)C[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000539863338 1116392589 /nfs/dbraw/zinc/39/25/89/1116392589.db2.gz WHZCKLNNDJEYDM-JOCHJYFZSA-N 1 3 368.569 4.254 20 0 FIADHO COc1cccc([C@H](C)NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463070593 1117956528 /nfs/dbraw/zinc/95/65/28/1117956528.db2.gz FXQPJRZOIMWBLK-KRWDZBQOSA-N 1 3 356.485 4.192 20 0 FIADHO Cc1cc([C@H](NCc2ccccc2OCC[NH+](C)C)C2CC2)ccc1F ZINC000540299886 1117975225 /nfs/dbraw/zinc/97/52/25/1117975225.db2.gz UNPKEIOAMOEXAE-JOCHJYFZSA-N 1 3 356.485 4.315 20 0 FIADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463138933 1117986594 /nfs/dbraw/zinc/98/65/94/1117986594.db2.gz FOHSSHHHXRJPBD-SFHVURJKSA-N 1 3 363.977 4.159 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147900 1117992036 /nfs/dbraw/zinc/99/20/36/1117992036.db2.gz REZNAWDKNMGREZ-XXBNENTESA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463147900 1117992040 /nfs/dbraw/zinc/99/20/40/1117992040.db2.gz REZNAWDKNMGREZ-XXBNENTESA-N 1 3 352.522 4.366 20 0 FIADHO C[C@@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)Oc1ccccc1 ZINC000540493481 1118091259 /nfs/dbraw/zinc/09/12/59/1118091259.db2.gz BAMTVGHIAHMYNP-RXVVDRJESA-N 1 3 366.505 4.032 20 0 FIADHO CC[NH+](CC)CCCC1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000541084247 1118376492 /nfs/dbraw/zinc/37/64/92/1118376492.db2.gz MJEYDKXDGZGJHY-HXUWFJFHSA-N 1 3 373.585 4.040 20 0 FIADHO Cc1ccccc1OCCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845037 1118718809 /nfs/dbraw/zinc/71/88/09/1118718809.db2.gz DBUDZBVTNPENLR-JOCHJYFZSA-N 1 3 352.522 4.218 20 0 FIADHO Cc1ccccc1OCCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845037 1118718813 /nfs/dbraw/zinc/71/88/13/1118718813.db2.gz DBUDZBVTNPENLR-JOCHJYFZSA-N 1 3 352.522 4.218 20 0 FIADHO C[N@H+](CCSc1ccccc1F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464846016 1118719421 /nfs/dbraw/zinc/71/94/21/1118719421.db2.gz IESZAUNMKAVXTP-LJQANCHMSA-N 1 3 358.526 4.372 20 0 FIADHO C[N@@H+](CCSc1ccccc1F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464846016 1118719424 /nfs/dbraw/zinc/71/94/24/1118719424.db2.gz IESZAUNMKAVXTP-LJQANCHMSA-N 1 3 358.526 4.372 20 0 FIADHO C[C@H](C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)CN(C)C ZINC000491544818 1118962230 /nfs/dbraw/zinc/96/22/30/1118962230.db2.gz JPABYTGAIHATGK-OAHLLOKOSA-N 1 3 362.949 4.246 20 0 FIADHO CCCCN(C(=O)c1cccc(CN(C)C)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000172771445 1118976370 /nfs/dbraw/zinc/97/63/70/1118976370.db2.gz KJKVKPDHAIUHCZ-UHFFFAOYSA-N 1 3 373.585 4.300 20 0 FIADHO C[C@H]([NH2+]CCOc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492379030 1119079349 /nfs/dbraw/zinc/07/93/49/1119079349.db2.gz WBRUPHQOPRUOFF-PKOBYXMFSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@H](NCCOc1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492379030 1119079355 /nfs/dbraw/zinc/07/93/55/1119079355.db2.gz WBRUPHQOPRUOFF-PKOBYXMFSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@H](NCCOc1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492379030 1119079360 /nfs/dbraw/zinc/07/93/60/1119079360.db2.gz WBRUPHQOPRUOFF-PKOBYXMFSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311994850 1119397119 /nfs/dbraw/zinc/39/71/19/1119397119.db2.gz SSARSCPBBXKVOU-LPHOPBHVSA-N 1 3 360.448 4.288 20 0 FIADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183155225 1119567021 /nfs/dbraw/zinc/56/70/21/1119567021.db2.gz WGQFNLPYSZFWGF-BHIFYINESA-N 1 3 356.554 4.084 20 0 FIADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183155189 1119567066 /nfs/dbraw/zinc/56/70/66/1119567066.db2.gz WGQFNLPYSZFWGF-FDFHNCONSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000183190287 1119568536 /nfs/dbraw/zinc/56/85/36/1119568536.db2.gz GEMFAJHZLWHZTL-CMKODMSKSA-N 1 3 352.526 4.176 20 0 FIADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000183190287 1119568540 /nfs/dbraw/zinc/56/85/40/1119568540.db2.gz GEMFAJHZLWHZTL-CMKODMSKSA-N 1 3 352.526 4.176 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183190325 1119568591 /nfs/dbraw/zinc/56/85/91/1119568591.db2.gz GEMFAJHZLWHZTL-NLWGTHIKSA-N 1 3 352.526 4.176 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183190325 1119568595 /nfs/dbraw/zinc/56/85/95/1119568595.db2.gz GEMFAJHZLWHZTL-NLWGTHIKSA-N 1 3 352.526 4.176 20 0 FIADHO Cc1nc2ccc(CNCc3cccc(C[NH+]4CCCC4)c3)cc2s1 ZINC000494352503 1119833118 /nfs/dbraw/zinc/83/31/18/1119833118.db2.gz UXOKEDXXCWNUGO-UHFFFAOYSA-N 1 3 351.519 4.490 20 0 FIADHO Cc1nc2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2s1 ZINC000494355711 1119834239 /nfs/dbraw/zinc/83/42/39/1119834239.db2.gz HJJOUFAZLJHBEE-UHFFFAOYSA-N 1 3 351.519 4.490 20 0 FIADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000191460207 1119978337 /nfs/dbraw/zinc/97/83/37/1119978337.db2.gz HHSVBVYCGTXTQO-IBGZPJMESA-N 1 3 357.542 4.232 20 0 FIADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000191460207 1119978340 /nfs/dbraw/zinc/97/83/40/1119978340.db2.gz HHSVBVYCGTXTQO-IBGZPJMESA-N 1 3 357.542 4.232 20 0 FIADHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132447 1120119681 /nfs/dbraw/zinc/11/96/81/1120119681.db2.gz JRXJOOUDBYLEMS-YLJYHZDGSA-N 1 3 354.542 4.119 20 0 FIADHO COC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(Cl)cc1 ZINC000194042949 1120233375 /nfs/dbraw/zinc/23/33/75/1120233375.db2.gz RFXUCVZMHDDBGF-IBGZPJMESA-N 1 3 350.865 4.018 20 0 FIADHO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000542533268 1120431718 /nfs/dbraw/zinc/43/17/18/1120431718.db2.gz KXLAJIIEBCQYKG-RDJZCZTQSA-N 1 3 370.459 4.370 20 0 FIADHO Cc1cc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000397541028 1121213733 /nfs/dbraw/zinc/21/37/33/1121213733.db2.gz AWRHWFSDIAEFEW-KRWDZBQOSA-N 1 3 358.551 4.043 20 0 FIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000397563466 1121223201 /nfs/dbraw/zinc/22/32/01/1121223201.db2.gz ZKWVZGAMERUQFF-QGZVFWFLSA-N 1 3 358.913 4.018 20 0 FIADHO CCn1nc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000397975918 1121328672 /nfs/dbraw/zinc/32/86/72/1121328672.db2.gz KRCYHZZZQAQQDU-NQIIRXRSSA-N 1 3 362.521 4.056 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000037643993 1121586652 /nfs/dbraw/zinc/58/66/52/1121586652.db2.gz QCVZUJFOSXVWKG-QWHCGFSZSA-N 1 3 351.288 4.188 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000125567385 1121792247 /nfs/dbraw/zinc/79/22/47/1121792247.db2.gz QGMPWNFSJNRXBP-RBUKOAKNSA-N 1 3 374.573 4.333 20 0 FIADHO CCn1cc(CNCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000112096254 1121963173 /nfs/dbraw/zinc/96/31/73/1121963173.db2.gz APDUKQNMAGOYLC-UHFFFAOYSA-N 1 3 374.532 4.456 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917008329 1122000064 /nfs/dbraw/zinc/00/00/64/1122000064.db2.gz JQNNPQFWRIUWJD-HRAATJIYSA-N 1 3 374.475 4.162 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917008329 1122000070 /nfs/dbraw/zinc/00/00/70/1122000070.db2.gz JQNNPQFWRIUWJD-HRAATJIYSA-N 1 3 374.475 4.162 20 0 FIADHO COc1ccc([C@H]2C[C@@H]([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCO2)cc1 ZINC001168611641 1122009397 /nfs/dbraw/zinc/00/93/97/1122009397.db2.gz WJOYKVYUNLVRHQ-FXAWDEMLSA-N 1 3 360.542 4.156 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@@H+](Cc3ccccc3)C[C@H](C)CN)CCO2)cc1 ZINC001168615489 1122068854 /nfs/dbraw/zinc/06/88/54/1122068854.db2.gz OFDINLDFYPIIFB-AAIMPIBUSA-N 1 3 368.521 4.012 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([N@H+](Cc3ccccc3)C[C@H](C)CN)CCO2)cc1 ZINC001168615489 1122068859 /nfs/dbraw/zinc/06/88/59/1122068859.db2.gz OFDINLDFYPIIFB-AAIMPIBUSA-N 1 3 368.521 4.012 20 0 FIADHO COc1ccc([C@H]2C[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCO2)cc1 ZINC001168616021 1122099050 /nfs/dbraw/zinc/09/90/50/1122099050.db2.gz QEERKWQTBIGAJH-JTHBVZDNSA-N 1 3 372.553 4.160 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186407569 1122100113 /nfs/dbraw/zinc/10/01/13/1122100113.db2.gz LSKRLIFKHPKXGF-UHFFFAOYSA-N 1 3 368.521 4.462 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186407569 1122100122 /nfs/dbraw/zinc/10/01/22/1122100122.db2.gz LSKRLIFKHPKXGF-UHFFFAOYSA-N 1 3 368.521 4.462 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186406344 1122100145 /nfs/dbraw/zinc/10/01/45/1122100145.db2.gz ZSKPFJDGOMPPDO-UHFFFAOYSA-N 1 3 368.521 4.462 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186406344 1122100153 /nfs/dbraw/zinc/10/01/53/1122100153.db2.gz ZSKPFJDGOMPPDO-UHFFFAOYSA-N 1 3 368.521 4.462 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC001168619661 1122167455 /nfs/dbraw/zinc/16/74/55/1122167455.db2.gz ZLUHQBNBAOWUMR-REWPJTCUSA-N 1 3 372.553 4.302 20 0 FIADHO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542693568 1122289147 /nfs/dbraw/zinc/28/91/47/1122289147.db2.gz JVPIFISCNOFNHN-DQHWKFJXSA-N 1 3 356.460 4.478 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000129861302 1122705301 /nfs/dbraw/zinc/70/53/01/1122705301.db2.gz JPTAVLOIQIEBRQ-QFIPXVFZSA-N 1 3 354.542 4.426 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000129861302 1122705305 /nfs/dbraw/zinc/70/53/05/1122705305.db2.gz JPTAVLOIQIEBRQ-QFIPXVFZSA-N 1 3 354.542 4.426 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCC[C@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233538 1122751164 /nfs/dbraw/zinc/75/11/64/1122751164.db2.gz QJHWRGCRBSRDQZ-VABKMULXSA-N 1 3 368.565 4.084 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCC[C@@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233546 1122751331 /nfs/dbraw/zinc/75/13/31/1122751331.db2.gz QJHWRGCRBSRDQZ-ZRBLBEILSA-N 1 3 368.565 4.084 20 0 FIADHO CC(C)c1nnc([C@@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000556262794 1122771870 /nfs/dbraw/zinc/77/18/70/1122771870.db2.gz XLPJVVYTWKTGOX-IPJUCJBFSA-N 1 3 355.530 4.022 20 0 FIADHO CC(C)c1nnc([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000556262794 1122771874 /nfs/dbraw/zinc/77/18/74/1122771874.db2.gz XLPJVVYTWKTGOX-IPJUCJBFSA-N 1 3 355.530 4.022 20 0 FIADHO C[NH+](C)CCCCN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498444003 1122804796 /nfs/dbraw/zinc/80/47/96/1122804796.db2.gz OCQNIYUXEOZXBD-QGZVFWFLSA-N 1 3 351.288 4.063 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CNCc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000556408831 1122875160 /nfs/dbraw/zinc/87/51/60/1122875160.db2.gz FQJCTCHXKAMVAP-UHFFFAOYSA-N 1 3 362.876 4.242 20 0 FIADHO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556891907 1123179315 /nfs/dbraw/zinc/17/93/15/1123179315.db2.gz HHVRNECLRFAXGC-XPWALMASSA-N 1 3 358.570 4.472 20 0 FIADHO C[C@@H]1CCCC[C@@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499158123 1123298395 /nfs/dbraw/zinc/29/83/95/1123298395.db2.gz RSQKKRXQADZBKE-IFPLKCGESA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H]1CCCC[C@@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158123 1123298398 /nfs/dbraw/zinc/29/83/98/1123298398.db2.gz RSQKKRXQADZBKE-IFPLKCGESA-N 1 3 356.554 4.367 20 0 FIADHO CCCCCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133105633 1123421102 /nfs/dbraw/zinc/42/11/02/1123421102.db2.gz YOYGSVIHMVHQFK-WOJBJXKFSA-N 1 3 374.569 4.407 20 0 FIADHO CC(C)CCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133155181 1123436535 /nfs/dbraw/zinc/43/65/35/1123436535.db2.gz OXSAUGUVPZFKHB-PMACEKPBSA-N 1 3 374.569 4.263 20 0 FIADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2ccccc2Cl)o1 ZINC000236938722 1123584928 /nfs/dbraw/zinc/58/49/28/1123584928.db2.gz NJKGUVHBTHJYFV-OAHLLOKOSA-N 1 3 350.890 4.046 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000245612357 1124140927 /nfs/dbraw/zinc/14/09/27/1124140927.db2.gz JWXOKLWDAQWERD-RTBURBONSA-N 1 3 352.522 4.262 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(CO)c1 ZINC000245612357 1124140932 /nfs/dbraw/zinc/14/09/32/1124140932.db2.gz JWXOKLWDAQWERD-RTBURBONSA-N 1 3 352.522 4.262 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564051 1124534683 /nfs/dbraw/zinc/53/46/83/1124534683.db2.gz FFCKNVLHHXJKEK-YWZLYKJASA-N 1 3 372.944 4.268 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000246564051 1124534690 /nfs/dbraw/zinc/53/46/90/1124534690.db2.gz FFCKNVLHHXJKEK-YWZLYKJASA-N 1 3 372.944 4.268 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000246916837 1124573195 /nfs/dbraw/zinc/57/31/95/1124573195.db2.gz GCCWQQHCIPLPHZ-VAMGGRTRSA-N 1 3 367.537 4.289 20 0 FIADHO C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000246920085 1124573410 /nfs/dbraw/zinc/57/34/10/1124573410.db2.gz GHRWQBKWOVDVOU-CDNPAEQRSA-N 1 3 368.521 4.198 20 0 FIADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000248120073 1124743578 /nfs/dbraw/zinc/74/35/78/1124743578.db2.gz NFYADQVIDAVOQZ-PBHICJAKSA-N 1 3 359.514 4.258 20 0 FIADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000248120073 1124743589 /nfs/dbraw/zinc/74/35/89/1124743589.db2.gz NFYADQVIDAVOQZ-PBHICJAKSA-N 1 3 359.514 4.258 20 0 FIADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396050 1124759829 /nfs/dbraw/zinc/75/98/29/1124759829.db2.gz GSSAIRGZWAVIIX-IDZYALCFSA-N 1 3 367.537 4.285 20 0 FIADHO COc1ccccc1[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000091343539 1125066741 /nfs/dbraw/zinc/06/67/41/1125066741.db2.gz HWIHFHSBTVYVNV-JPYJTQIMSA-N 1 3 372.553 4.017 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1OC ZINC000182353322 1125424107 /nfs/dbraw/zinc/42/41/07/1125424107.db2.gz JHNATDUKSXZQPI-QGZVFWFLSA-N 1 3 351.494 4.259 20 0 FIADHO CCOc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1OC ZINC000065976612 1125440249 /nfs/dbraw/zinc/44/02/49/1125440249.db2.gz AOPZGPQPGPVBFW-UHFFFAOYSA-N 1 3 356.510 4.224 20 0 FIADHO CCOc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000065976612 1125440254 /nfs/dbraw/zinc/44/02/54/1125440254.db2.gz AOPZGPQPGPVBFW-UHFFFAOYSA-N 1 3 356.510 4.224 20 0 FIADHO COc1ccc(CN2CCC(C[NH2+]Cc3cc(C)ccc3F)CC2)cc1 ZINC000604891677 568381965 /nfs/dbraw/zinc/38/19/65/568381965.db2.gz LFOAWKGXPSNFKI-UHFFFAOYSA-N 1 3 356.485 4.145 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2cccs2)c1 ZINC000093961898 1125545581 /nfs/dbraw/zinc/54/55/81/1125545581.db2.gz GDMXMVSTHMFUOV-UHFFFAOYSA-N 1 3 368.550 4.279 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2cccs2)c1 ZINC000093961898 1125545587 /nfs/dbraw/zinc/54/55/87/1125545587.db2.gz GDMXMVSTHMFUOV-UHFFFAOYSA-N 1 3 368.550 4.279 20 0 FIADHO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001648785837 1079569585 /nfs/dbraw/zinc/56/95/85/1079569585.db2.gz HSNLNFXWOWAOLG-RDPSFJRHSA-N 1 3 363.549 4.287 20 0 FIADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)CC3 ZINC000180713682 1080539058 /nfs/dbraw/zinc/53/90/58/1080539058.db2.gz VFYDSIMIBVLJMM-SFHVURJKSA-N 1 3 351.538 4.330 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000398108114 1080785606 /nfs/dbraw/zinc/78/56/06/1080785606.db2.gz BZKGGEZKGJTIKC-VSDWSMLSSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000398108114 1080785610 /nfs/dbraw/zinc/78/56/10/1080785610.db2.gz BZKGGEZKGJTIKC-VSDWSMLSSA-N 1 3 350.506 4.270 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117307 1080788849 /nfs/dbraw/zinc/78/88/49/1080788849.db2.gz GDRCECOQIDCALW-MQNAVGNWSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117307 1080788855 /nfs/dbraw/zinc/78/88/55/1080788855.db2.gz GDRCECOQIDCALW-MQNAVGNWSA-N 1 3 350.506 4.183 20 0 FIADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000683520847 1081046096 /nfs/dbraw/zinc/04/60/96/1081046096.db2.gz CISKDCFPZJEIOB-UHFFFAOYSA-N 1 3 357.464 4.434 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000121013534 1081194306 /nfs/dbraw/zinc/19/43/06/1081194306.db2.gz VZKWUUFCGKXAJT-UHFFFAOYSA-N 1 3 352.482 4.110 20 0 FIADHO Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c(C)c1Br ZINC001648835616 1081277622 /nfs/dbraw/zinc/27/76/22/1081277622.db2.gz XHBYBVOAJHGRAX-UHFFFAOYSA-N 1 3 351.332 4.030 20 0 FIADHO C[N@H+](CCN1CCN(Cc2cccc3ccccc32)CC1)Cc1ccccc1 ZINC001167336782 1081468554 /nfs/dbraw/zinc/46/85/54/1081468554.db2.gz BFSYBTIQGHYJHF-UHFFFAOYSA-N 1 3 373.544 4.089 20 0 FIADHO C[N@@H+](CCN1CCN(Cc2cccc3ccccc32)CC1)Cc1ccccc1 ZINC001167336782 1081468559 /nfs/dbraw/zinc/46/85/59/1081468559.db2.gz BFSYBTIQGHYJHF-UHFFFAOYSA-N 1 3 373.544 4.089 20 0 FIADHO CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000537956460 1081504705 /nfs/dbraw/zinc/50/47/05/1081504705.db2.gz RQIRBZVHWMPONH-SLFFLAALSA-N 1 3 350.934 4.149 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000656127335 1081715748 /nfs/dbraw/zinc/71/57/48/1081715748.db2.gz ZIGIYZQFVPJRMK-CECAUBDESA-N 1 3 361.489 4.022 20 0 FIADHO CSC1(CNCc2cc(Cl)ccc2OCC2CC2)CC[NH+](C)CC1 ZINC000580643385 1082063066 /nfs/dbraw/zinc/06/30/66/1082063066.db2.gz FATYSHFPSLDDFU-UHFFFAOYSA-N 1 3 368.974 4.046 20 0 FIADHO Cc1ccc([C@@H](NCc2ccncc2OCCC[NH+](C)C)C2CCC2)cc1 ZINC000581274988 1082427778 /nfs/dbraw/zinc/42/77/78/1082427778.db2.gz MSQBBSRRZFYXHS-QHCPKHFHSA-N 1 3 367.537 4.352 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N1CCCCCC1 ZINC000510389886 1082477452 /nfs/dbraw/zinc/47/74/52/1082477452.db2.gz UHKABTCRXCCKQB-MOPGFXCFSA-N 1 3 357.542 4.264 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1CCCCCC1 ZINC000510389886 1082477455 /nfs/dbraw/zinc/47/74/55/1082477455.db2.gz UHKABTCRXCCKQB-MOPGFXCFSA-N 1 3 357.542 4.264 20 0 FIADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1Cc1scnc1C1CC1 ZINC000581429537 1082571807 /nfs/dbraw/zinc/57/18/07/1082571807.db2.gz PQYOHUZEVONNKQ-RBUKOAKNSA-N 1 3 355.551 4.193 20 0 FIADHO CCOCc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000581574976 1082672255 /nfs/dbraw/zinc/67/22/55/1082672255.db2.gz WQRRPOGTESFBRC-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574976 1082672256 /nfs/dbraw/zinc/67/22/56/1082672256.db2.gz WQRRPOGTESFBRC-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000581574976 1082672258 /nfs/dbraw/zinc/67/22/58/1082672258.db2.gz WQRRPOGTESFBRC-AUSIDOKSSA-N 1 3 352.522 4.223 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1F ZINC000656684023 1082717861 /nfs/dbraw/zinc/71/78/61/1082717861.db2.gz SAQCJIVYCSSKDF-NRFANRHFSA-N 1 3 359.464 4.313 20 0 FIADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000684394904 1082828355 /nfs/dbraw/zinc/82/83/55/1082828355.db2.gz OAHLTNVATQNGQA-WXFUMESZSA-N 1 3 363.549 4.213 20 0 FIADHO C[C@@H](c1ccccc1F)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430923397 1083237788 /nfs/dbraw/zinc/23/77/88/1083237788.db2.gz DKQZXKQFIUWPSC-SFHVURJKSA-N 1 3 361.549 4.015 20 0 FIADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000510800376 1083317141 /nfs/dbraw/zinc/31/71/41/1083317141.db2.gz ZAYPGAARTVBCHX-QGZVFWFLSA-N 1 3 372.940 4.478 20 0 FIADHO CCOc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1OC ZINC000065976661 1083904389 /nfs/dbraw/zinc/90/43/89/1083904389.db2.gz NQUOXKNSASDNPT-UHFFFAOYSA-N 1 3 356.510 4.224 20 0 FIADHO CCOc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1OC ZINC000065976661 1083904392 /nfs/dbraw/zinc/90/43/92/1083904392.db2.gz NQUOXKNSASDNPT-UHFFFAOYSA-N 1 3 356.510 4.224 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000511003157 1084100501 /nfs/dbraw/zinc/10/05/01/1084100501.db2.gz VETZXPSGJUPPRW-BTYIYWSLSA-N 1 3 372.484 4.113 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000537970689 1084381212 /nfs/dbraw/zinc/38/12/12/1084381212.db2.gz HLFLKRPZLLCJRY-BRWVUGGUSA-N 1 3 350.572 4.167 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)CC2)c1 ZINC000582032415 1084493299 /nfs/dbraw/zinc/49/32/99/1084493299.db2.gz HGLIODLLXXBCKC-WIYYLYMNSA-N 1 3 356.554 4.360 20 0 FIADHO Cc1ncsc1-c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000657367966 1084761849 /nfs/dbraw/zinc/76/18/49/1084761849.db2.gz RRWSSSKBCKOYHR-IRXDYDNUSA-N 1 3 373.566 4.098 20 0 FIADHO Cc1cc(C)c([C@@H](C)[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(C)c1 ZINC000582208920 1084762855 /nfs/dbraw/zinc/76/28/55/1084762855.db2.gz SNPGOKBLKDMSGT-OAQYLSRUSA-N 1 3 357.586 4.022 20 0 FIADHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c2sccc21 ZINC000414296369 1084988001 /nfs/dbraw/zinc/98/80/01/1084988001.db2.gz FGLHNAXSFLKZCH-XLIONFOSSA-N 1 3 370.562 4.303 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000472584088 1085049917 /nfs/dbraw/zinc/04/99/17/1085049917.db2.gz GOVNTAOTMZVGSZ-QDGLUTFLSA-N 1 3 369.597 4.361 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000472584088 1085049923 /nfs/dbraw/zinc/04/99/23/1085049923.db2.gz GOVNTAOTMZVGSZ-QDGLUTFLSA-N 1 3 369.597 4.361 20 0 FIADHO Cc1ccc2cc(CNC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)[nH]c2c1 ZINC000657453285 1085103853 /nfs/dbraw/zinc/10/38/53/1085103853.db2.gz UOOIRQXOEBSSTL-UHFFFAOYSA-N 1 3 365.443 4.371 20 0 FIADHO Clc1cc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Cl)s1 ZINC000657538355 1085455452 /nfs/dbraw/zinc/45/54/52/1085455452.db2.gz ZPCOGRGIIKFKIF-UHFFFAOYSA-N 1 3 363.354 4.036 20 0 FIADHO O[C@H](C[C@@H]1CCCCCN1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161400972 1085684170 /nfs/dbraw/zinc/68/41/70/1085684170.db2.gz KUFUJPWLNSLKDW-RBUKOAKNSA-N 1 3 350.572 4.292 20 0 FIADHO FC(F)(F)c1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657611972 1085689901 /nfs/dbraw/zinc/68/99/01/1085689901.db2.gz GQOCGTMNWGSARV-UHFFFAOYSA-N 1 3 363.427 4.102 20 0 FIADHO CC[NH+](CC)CCOc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000236874948 1085863604 /nfs/dbraw/zinc/86/36/04/1085863604.db2.gz VJQGADLKLWBXBU-UHFFFAOYSA-N 1 3 351.494 4.178 20 0 FIADHO CC(C)(CO)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000090657613 1085871026 /nfs/dbraw/zinc/87/10/26/1085871026.db2.gz RVSCKBMJCHEBJW-JOCHJYFZSA-N 1 3 358.570 4.175 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000247007235 1086146693 /nfs/dbraw/zinc/14/66/93/1086146693.db2.gz LYNSTCICKPFXDN-SSOJOUAXSA-N 1 3 358.551 4.115 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000247007235 1086146702 /nfs/dbraw/zinc/14/67/02/1086146702.db2.gz LYNSTCICKPFXDN-SSOJOUAXSA-N 1 3 358.551 4.115 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174401 1086352029 /nfs/dbraw/zinc/35/20/29/1086352029.db2.gz AWZXJHNAOQRLAK-QNPCKFRZSA-N 1 3 352.469 4.353 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C\c2ccccc2OC(F)F)[C@@H](C)C1 ZINC000583174401 1086352039 /nfs/dbraw/zinc/35/20/39/1086352039.db2.gz AWZXJHNAOQRLAK-QNPCKFRZSA-N 1 3 352.469 4.353 20 0 FIADHO c1ccc(Oc2cccnc2)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293930 1086399649 /nfs/dbraw/zinc/39/96/49/1086399649.db2.gz VGFOIXUAYUOBGO-LJQANCHMSA-N 1 3 351.494 4.086 20 0 FIADHO O=C(C[C@@H]1NCc2ccccc21)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000662417838 1086434642 /nfs/dbraw/zinc/43/46/42/1086434642.db2.gz WXWORUTXPLNGQD-QFIPXVFZSA-N 1 3 363.505 4.236 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCSc3ccc(Br)cc32)CC[N@@H+]1C ZINC000663441524 1086544632 /nfs/dbraw/zinc/54/46/32/1086544632.db2.gz UWIPZSCVWUMYBS-IVMMDQJWSA-N 1 3 369.372 4.448 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCSc3ccc(Br)cc32)CC[N@H+]1C ZINC000663441524 1086544635 /nfs/dbraw/zinc/54/46/35/1086544635.db2.gz UWIPZSCVWUMYBS-IVMMDQJWSA-N 1 3 369.372 4.448 20 0 FIADHO C[C@H](NC/C=C/c1ccc(F)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511989780 1086582082 /nfs/dbraw/zinc/58/20/82/1086582082.db2.gz MEOUPPNUBBRVBC-FFJFPXHCSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H](NC/C=C/c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989780 1086582088 /nfs/dbraw/zinc/58/20/88/1086582088.db2.gz MEOUPPNUBBRVBC-FFJFPXHCSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000511989780 1086582097 /nfs/dbraw/zinc/58/20/97/1086582097.db2.gz MEOUPPNUBBRVBC-FFJFPXHCSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413228 1086736611 /nfs/dbraw/zinc/73/66/11/1086736611.db2.gz LMBGGSLROUUIKV-DNVCBOLYSA-N 1 3 370.459 4.247 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413228 1086736613 /nfs/dbraw/zinc/73/66/13/1086736613.db2.gz LMBGGSLROUUIKV-DNVCBOLYSA-N 1 3 370.459 4.247 20 0 FIADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417744 1086741427 /nfs/dbraw/zinc/74/14/27/1086741427.db2.gz OCUPKKHYLDFVPP-HOTGVXAUSA-N 1 3 372.525 4.195 20 0 FIADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417744 1086741428 /nfs/dbraw/zinc/74/14/28/1086741428.db2.gz OCUPKKHYLDFVPP-HOTGVXAUSA-N 1 3 372.525 4.195 20 0 FIADHO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000583663670 1086907317 /nfs/dbraw/zinc/90/73/17/1086907317.db2.gz QEXOWUIFHAMUMQ-RBBKRZOGSA-N 1 3 368.569 4.287 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000650758391 1086973420 /nfs/dbraw/zinc/97/34/20/1086973420.db2.gz OKKNDZRVPYQEDR-GOSISDBHSA-N 1 3 350.384 4.082 20 0 FIADHO Fc1ccc(-c2nc(CNCC3CC[NH+](CC4CC4)CC3)cs2)cc1 ZINC000657812227 1087078202 /nfs/dbraw/zinc/07/82/02/1087078202.db2.gz OYYJJANSMPSDLY-UHFFFAOYSA-N 1 3 359.514 4.161 20 0 FIADHO Cc1nc(C(C)C)oc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000428231265 1087158517 /nfs/dbraw/zinc/15/85/17/1087158517.db2.gz RAPNKARJTONXSR-UHFFFAOYSA-N 1 3 355.526 4.450 20 0 FIADHO Cc1nc(C(C)C)oc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000428231265 1087158526 /nfs/dbraw/zinc/15/85/26/1087158526.db2.gz RAPNKARJTONXSR-UHFFFAOYSA-N 1 3 355.526 4.450 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(C3CCCCC3)s2)C[C@H](C)O1 ZINC000084018233 1087344881 /nfs/dbraw/zinc/34/48/81/1087344881.db2.gz JQVQJZPIVNLQHJ-IRXDYDNUSA-N 1 3 365.587 4.170 20 0 FIADHO COC[C@@H](CC1CCOCC1)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000657886017 1087535207 /nfs/dbraw/zinc/53/52/07/1087535207.db2.gz CFTOOSFGWPKVKB-SIKLNZKXSA-N 1 3 374.569 4.071 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143215 1087735015 /nfs/dbraw/zinc/73/50/15/1087735015.db2.gz XSORSJHFQDGXHX-FXAWDEMLSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143215 1087735021 /nfs/dbraw/zinc/73/50/21/1087735021.db2.gz XSORSJHFQDGXHX-FXAWDEMLSA-N 1 3 370.562 4.216 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658163983 1087757369 /nfs/dbraw/zinc/75/73/69/1087757369.db2.gz MFCCEEAAXOJNRZ-FFZOFVMBSA-N 1 3 355.551 4.137 20 0 FIADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658168107 1087763016 /nfs/dbraw/zinc/76/30/16/1087763016.db2.gz VUFGICHDZAYAPO-RPWUZVMVSA-N 1 3 363.549 4.394 20 0 FIADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168445 1087764613 /nfs/dbraw/zinc/76/46/13/1087764613.db2.gz XFDNBRYRORZESS-RBUKOAKNSA-N 1 3 367.537 4.084 20 0 FIADHO Cc1nc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000424285562 1087896050 /nfs/dbraw/zinc/89/60/50/1087896050.db2.gz FUIZDTCXDUUAPU-AWEZNQCLSA-N 1 3 359.901 4.267 20 0 FIADHO CCCOc1c(Cl)cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424378690 1087964254 /nfs/dbraw/zinc/96/42/54/1087964254.db2.gz NKVWQVHBASVZJD-OAHLLOKOSA-N 1 3 366.933 4.101 20 0 FIADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414812617 1088225713 /nfs/dbraw/zinc/22/57/13/1088225713.db2.gz XOFSAXOAQGSOKR-OXJNMPFZSA-N 1 3 371.912 4.199 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000659284812 1088421835 /nfs/dbraw/zinc/42/18/35/1088421835.db2.gz HQIDJRNTLLIJSR-HTAPYJJXSA-N 1 3 363.505 4.092 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)C1 ZINC000659284812 1088421839 /nfs/dbraw/zinc/42/18/39/1088421839.db2.gz HQIDJRNTLLIJSR-HTAPYJJXSA-N 1 3 363.505 4.092 20 0 FIADHO COc1cc(Br)ccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415045459 1089089709 /nfs/dbraw/zinc/08/97/09/1089089709.db2.gz BSFRGRWZZZLJNJ-QGZVFWFLSA-N 1 3 363.299 4.028 20 0 FIADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000415120966 1089183248 /nfs/dbraw/zinc/18/32/48/1089183248.db2.gz GWZRKDRRTQUJEA-CTNGQTDRSA-N 1 3 374.525 4.273 20 0 FIADHO CC(C)[NH+]1CCC(NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000180457545 1090205689 /nfs/dbraw/zinc/20/56/89/1090205689.db2.gz ICVXGTZPOGNJBH-AWEZNQCLSA-N 1 3 371.388 4.392 20 0 FIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(OC)cc2)ccc1OC ZINC000182185472 1090334471 /nfs/dbraw/zinc/33/44/71/1090334471.db2.gz JXXGZYZBIPINIH-KRWDZBQOSA-N 1 3 356.510 4.396 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000182376736 1090349090 /nfs/dbraw/zinc/34/90/90/1090349090.db2.gz QSEHEKCIXZMVOZ-FZKQIMNGSA-N 1 3 352.494 4.453 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376736 1090349096 /nfs/dbraw/zinc/34/90/96/1090349096.db2.gz QSEHEKCIXZMVOZ-FZKQIMNGSA-N 1 3 352.494 4.453 20 0 FIADHO COc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)c(C)c1OC ZINC000584802777 1090904721 /nfs/dbraw/zinc/90/47/21/1090904721.db2.gz LGISMNAKVFOGRL-UHFFFAOYSA-N 1 3 356.510 4.142 20 0 FIADHO COc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)c(C)c1OC ZINC000584802777 1090904722 /nfs/dbraw/zinc/90/47/22/1090904722.db2.gz LGISMNAKVFOGRL-UHFFFAOYSA-N 1 3 356.510 4.142 20 0 FIADHO Cc1cccc([C@@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000500069917 1091021405 /nfs/dbraw/zinc/02/14/05/1091021405.db2.gz KZOVRDIHAPDRNT-QHCPKHFHSA-N 1 3 357.586 4.247 20 0 FIADHO Cc1cccc([C@@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000500069917 1091021412 /nfs/dbraw/zinc/02/14/12/1091021412.db2.gz KZOVRDIHAPDRNT-QHCPKHFHSA-N 1 3 357.586 4.247 20 0 FIADHO Cc1ccc([C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)c2ccccc2)cc1 ZINC000500102732 1091039790 /nfs/dbraw/zinc/03/97/90/1091039790.db2.gz FQCANPBTELDJTQ-DEOSSOPVSA-N 1 3 365.565 4.090 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000511766249 1091651390 /nfs/dbraw/zinc/65/13/90/1091651390.db2.gz DGSYISHTLVXBEG-QRVBRYPASA-N 1 3 357.542 4.262 20 0 FIADHO COc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306333 1092633210 /nfs/dbraw/zinc/63/32/10/1092633210.db2.gz JUQXSHKGYUQPAQ-KRWDZBQOSA-N 1 3 374.550 4.076 20 0 FIADHO COc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1OC ZINC000521306333 1092633215 /nfs/dbraw/zinc/63/32/15/1092633215.db2.gz JUQXSHKGYUQPAQ-KRWDZBQOSA-N 1 3 374.550 4.076 20 0 FIADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2)cc1 ZINC000442868481 1092814405 /nfs/dbraw/zinc/81/44/05/1092814405.db2.gz CIZYMWUVTQWTBI-LJQANCHMSA-N 1 3 351.538 4.030 20 0 FIADHO CC(C)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442870810 1092818371 /nfs/dbraw/zinc/81/83/71/1092818371.db2.gz ABQRIRBIZOSNSK-IBGZPJMESA-N 1 3 351.966 4.043 20 0 FIADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000442873286 1092820385 /nfs/dbraw/zinc/82/03/85/1092820385.db2.gz KFFOPCSKOMERAG-QGZVFWFLSA-N 1 3 358.357 4.060 20 0 FIADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000442877174 1092830575 /nfs/dbraw/zinc/83/05/75/1092830575.db2.gz QZVNAPGBATXDKE-SFHVURJKSA-N 1 3 371.491 4.018 20 0 FIADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000442880729 1092836384 /nfs/dbraw/zinc/83/63/84/1092836384.db2.gz XYGQFESJIRFZFU-QGZVFWFLSA-N 1 3 365.521 4.263 20 0 FIADHO c1cn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cc2)cn1 ZINC000245660150 1092946073 /nfs/dbraw/zinc/94/60/73/1092946073.db2.gz FKBUTCQBTGHWBQ-ULPXVVAUSA-N 1 3 372.516 4.158 20 0 FIADHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000245689281 1092948610 /nfs/dbraw/zinc/94/86/10/1092948610.db2.gz KAZHVCUSKIFONH-VLDBVROHSA-N 1 3 368.496 4.033 20 0 FIADHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000245689281 1092948613 /nfs/dbraw/zinc/94/86/13/1092948613.db2.gz KAZHVCUSKIFONH-VLDBVROHSA-N 1 3 368.496 4.033 20 0 FIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000512644198 1093058400 /nfs/dbraw/zinc/05/84/00/1093058400.db2.gz ZZEALLKTKIQGTN-JLMDMGSGSA-N 1 3 370.581 4.470 20 0 FIADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000512653424 1093080060 /nfs/dbraw/zinc/08/00/60/1093080060.db2.gz FDPWQVLRHVWNDA-YPAWHYETSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168018136 1093164050 /nfs/dbraw/zinc/16/40/50/1093164050.db2.gz BTBONRNAFDYIRU-YVCBRDFCSA-N 1 3 372.940 4.405 20 0 FIADHO C[C@H]1CC([NH2+][C@@H](CO)c2cccc(Cl)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168018133 1093164777 /nfs/dbraw/zinc/16/47/77/1093164777.db2.gz BTBONRNAFDYIRU-HOIFWPIMSA-N 1 3 372.940 4.405 20 0 FIADHO C[C@@H]1CC(N[C@@H]2CC(C)(C)N(O)C2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018835 1093173778 /nfs/dbraw/zinc/17/37/78/1093173778.db2.gz FLPXBCVMHYSHSA-MBOZVWFJSA-N 1 3 359.558 4.038 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2COCc3ccccc32)C[C@H](C)N1Cc1ccccc1 ZINC001168025870 1093441792 /nfs/dbraw/zinc/44/17/92/1093441792.db2.gz KDZWUWICMYUGNL-NNTZPNAXSA-N 1 3 350.506 4.289 20 0 FIADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000389141374 1093454706 /nfs/dbraw/zinc/45/47/06/1093454706.db2.gz VHIMAEBOXPJVON-ZWOKBUDYSA-N 1 3 356.485 4.396 20 0 FIADHO CN(CCCO)C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474261582 1093628447 /nfs/dbraw/zinc/62/84/47/1093628447.db2.gz ABWXVSMIEOCARE-UHFFFAOYSA-N 1 3 373.368 4.095 20 0 FIADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433405916 1093672799 /nfs/dbraw/zinc/67/27/99/1093672799.db2.gz JZLNWXLYXWBGJH-WMZOPIPTSA-N 1 3 366.521 4.012 20 0 FIADHO COCc1cccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC001648951368 1093967917 /nfs/dbraw/zinc/96/79/17/1093967917.db2.gz SXNWQHRBUWIURB-UHFFFAOYSA-N 1 3 352.522 4.499 20 0 FIADHO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513678613 1094269513 /nfs/dbraw/zinc/26/95/13/1094269513.db2.gz PVOGIMNQNKQHER-BHIFYINESA-N 1 3 358.570 4.066 20 0 FIADHO C[C@H]1CC([NH2+]Cc2cnc3ccc(F)cn23)C[C@H](C)N1Cc1ccccc1 ZINC001168039671 1094450103 /nfs/dbraw/zinc/45/01/03/1094450103.db2.gz HALMYMZOCXORGD-IRXDYDNUSA-N 1 3 366.484 4.005 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000501059142 1094469931 /nfs/dbraw/zinc/46/99/31/1094469931.db2.gz LIRHQKMGEWKTBE-XMMPIXPASA-N 1 3 371.613 4.137 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000501059142 1094469940 /nfs/dbraw/zinc/46/99/40/1094469940.db2.gz LIRHQKMGEWKTBE-XMMPIXPASA-N 1 3 371.613 4.137 20 0 FIADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501090419 1094490316 /nfs/dbraw/zinc/49/03/16/1094490316.db2.gz MPFWIQNYOJTVFC-FQEVSTJZSA-N 1 3 351.966 4.043 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C[C@H](C)N1Cc1ccccc1 ZINC001168040207 1094497629 /nfs/dbraw/zinc/49/76/29/1094497629.db2.gz KZSIOIHMLYFVHV-YZIUBNRHSA-N 1 3 350.506 4.411 20 0 FIADHO [NH3+]CC[C@H]1CCCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315025 1094877509 /nfs/dbraw/zinc/87/75/09/1094877509.db2.gz RKSPEYBYAUNEJJ-VGOFRKELSA-N 1 3 361.489 4.153 20 0 FIADHO COc1ccc([C@H](C[NH3+])CN[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000420416902 1094914126 /nfs/dbraw/zinc/91/41/26/1094914126.db2.gz WAXHYJDNMNBJSY-DZGCQCFKSA-N 1 3 352.400 4.107 20 0 FIADHO COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000502240044 1095244426 /nfs/dbraw/zinc/24/44/26/1095244426.db2.gz FXSOBZFDNKWVEO-SFHVURJKSA-N 1 3 374.569 4.330 20 0 FIADHO c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000421334783 1095548580 /nfs/dbraw/zinc/54/85/80/1095548580.db2.gz QSIYEFWQHGUJOH-SFHVURJKSA-N 1 3 364.537 4.239 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000522799477 1095690489 /nfs/dbraw/zinc/69/04/89/1095690489.db2.gz DSWPFAVZROZDKE-HBMCJLEFSA-N 1 3 365.565 4.391 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000522799477 1095690494 /nfs/dbraw/zinc/69/04/94/1095690494.db2.gz DSWPFAVZROZDKE-HBMCJLEFSA-N 1 3 365.565 4.391 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051056 1095772024 /nfs/dbraw/zinc/77/20/24/1095772024.db2.gz FRJBCFMRNTWGPJ-YHELAOLJSA-N 1 3 372.553 4.092 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051056 1095772036 /nfs/dbraw/zinc/77/20/36/1095772036.db2.gz FRJBCFMRNTWGPJ-YHELAOLJSA-N 1 3 372.553 4.092 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1OC ZINC000513759853 1095966351 /nfs/dbraw/zinc/96/63/51/1095966351.db2.gz HIJMXKVIEKENQP-GOSISDBHSA-N 1 3 368.521 4.459 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccsc2S1 ZINC000272774864 1096210959 /nfs/dbraw/zinc/21/09/59/1096210959.db2.gz UETWOXFXJOGREN-YJLNNSPDSA-N 1 3 374.575 4.030 20 0 FIADHO C[C@H]1C[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccsc2S1 ZINC000272774864 1096210972 /nfs/dbraw/zinc/21/09/72/1096210972.db2.gz UETWOXFXJOGREN-YJLNNSPDSA-N 1 3 374.575 4.030 20 0 FIADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000414663882 1096375384 /nfs/dbraw/zinc/37/53/84/1096375384.db2.gz SEDVPKAIYSUEGC-MOPGFXCFSA-N 1 3 360.505 4.017 20 0 FIADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881145 1096510718 /nfs/dbraw/zinc/51/07/18/1096510718.db2.gz POJKZXPVDHWTJK-KSSFIOAISA-N 1 3 371.352 4.149 20 0 FIADHO CC(C)Oc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422897362 1096518340 /nfs/dbraw/zinc/51/83/40/1096518340.db2.gz ZSRZYBZCWNYCRJ-JWNTYJGQSA-N 1 3 366.505 4.380 20 0 FIADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422909868 1096521197 /nfs/dbraw/zinc/52/11/97/1096521197.db2.gz PDDMTAIKFKDGEP-YADARESESA-N 1 3 374.532 4.076 20 0 FIADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422909866 1096521233 /nfs/dbraw/zinc/52/12/33/1096521233.db2.gz PDDMTAIKFKDGEP-DVECYGJZSA-N 1 3 374.532 4.076 20 0 FIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000422930944 1096528305 /nfs/dbraw/zinc/52/83/05/1096528305.db2.gz AEVYNPUCWOKBJL-UGSOOPFHSA-N 1 3 365.290 4.395 20 0 FIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945652 1096535882 /nfs/dbraw/zinc/53/58/82/1096535882.db2.gz NOOIICFUAVILAO-ZVDOUQERSA-N 1 3 354.881 4.173 20 0 FIADHO Clc1ccc(COCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423021800 1096551052 /nfs/dbraw/zinc/55/10/52/1096551052.db2.gz CXHLGRLQGKECLJ-NXHRZFHOSA-N 1 3 357.325 4.020 20 0 FIADHO C[C@@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000423038638 1096557839 /nfs/dbraw/zinc/55/78/39/1096557839.db2.gz OTEVTTPRTZLNCV-BSDZUQITSA-N 1 3 362.517 4.472 20 0 FIADHO Fc1cccc2c1CCC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144512 1096595701 /nfs/dbraw/zinc/59/57/01/1096595701.db2.gz HHKHVYQQFBOOJY-JAXLGGSGSA-N 1 3 352.453 4.049 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423169637 1096600784 /nfs/dbraw/zinc/60/07/84/1096600784.db2.gz ZSBIZTKWPNLKJL-OAHLLOKOSA-N 1 3 359.464 4.143 20 0 FIADHO CSc1cccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2cc(F)ccc2F)c1 ZINC000423247067 1096628965 /nfs/dbraw/zinc/62/89/65/1096628965.db2.gz KQMDBYUYLMXUKO-XOBRGWDASA-N 1 3 362.489 4.365 20 0 FIADHO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414727763 1096629922 /nfs/dbraw/zinc/62/99/22/1096629922.db2.gz BOBFDISXDLHNGK-UONOGXRCSA-N 1 3 372.340 4.032 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000423291525 1096636231 /nfs/dbraw/zinc/63/62/31/1096636231.db2.gz ISGPRSVNYFXKHU-VXGBXAGGSA-N 1 3 351.263 4.459 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000423293829 1096643181 /nfs/dbraw/zinc/64/31/81/1096643181.db2.gz SDLCTNDBAJJQDS-QWHCGFSZSA-N 1 3 350.409 4.167 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000467312452 1096648682 /nfs/dbraw/zinc/64/86/82/1096648682.db2.gz FCMBFWIUSXDXMV-OAQYLSRUSA-N 1 3 354.469 4.207 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)C[NH2+]C3)c2cccc(Br)c21 ZINC000423369509 1096658145 /nfs/dbraw/zinc/65/81/45/1096658145.db2.gz DYSFCENHFBQTID-KZULUSFZSA-N 1 3 357.295 4.390 20 0 FIADHO CCCCOc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423393626 1096663549 /nfs/dbraw/zinc/66/35/49/1096663549.db2.gz QSWMRBVIYWPSAB-INIZCTEOSA-N 1 3 354.494 4.328 20 0 FIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC(F)(F)F)cc1 ZINC000423405631 1096672302 /nfs/dbraw/zinc/67/23/02/1096672302.db2.gz YFAYOGGJBGBCGG-ZDUSSCGKSA-N 1 3 350.384 4.082 20 0 FIADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423452835 1096681704 /nfs/dbraw/zinc/68/17/04/1096681704.db2.gz KBNSULSYCYLBJD-SCLBCKFNSA-N 1 3 365.290 4.395 20 0 FIADHO COc1ccc([C@H](N[C@H]2CC[C@H](C[NH3+])C2)c2ccccc2Cl)cc1OC ZINC000423506805 1096702478 /nfs/dbraw/zinc/70/24/78/1096702478.db2.gz MILDHHBXNBGRDZ-HTZUNMPGSA-N 1 3 374.912 4.164 20 0 FIADHO [NH3+]CCC[C@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)c1ccccc1 ZINC000423524474 1096713287 /nfs/dbraw/zinc/71/32/87/1096713287.db2.gz XBBBVLSNVCKOJZ-FCHUYYIVSA-N 1 3 360.505 4.320 20 0 FIADHO c1ccc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC000236745025 1098863153 /nfs/dbraw/zinc/86/31/53/1098863153.db2.gz IFGDKOVETFGHCR-UHFFFAOYSA-N 1 3 371.528 4.299 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CNCc1c[nH]nc1-c1ccsc1 ZINC000436279471 1098882724 /nfs/dbraw/zinc/88/27/24/1098882724.db2.gz IWHSCIRUILAIAB-UHFFFAOYSA-N 1 3 354.523 4.270 20 0 FIADHO CC[NH+](CC)Cc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC000436271553 1098897281 /nfs/dbraw/zinc/89/72/81/1098897281.db2.gz DSPDYRFZZGWZNZ-UHFFFAOYSA-N 1 3 354.523 4.270 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125941 1099644748 /nfs/dbraw/zinc/64/47/48/1099644748.db2.gz HAPKXCNRQPQYTP-WIYYLYMNSA-N 1 3 352.526 4.012 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125941 1099644750 /nfs/dbraw/zinc/64/47/50/1099644750.db2.gz HAPKXCNRQPQYTP-WIYYLYMNSA-N 1 3 352.526 4.012 20 0 FIADHO C/C(=C\c1ccccc1OC(F)F)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000516689868 1099728554 /nfs/dbraw/zinc/72/85/54/1099728554.db2.gz LLWBASXNKNNBFG-CWWKMALHSA-N 1 3 350.453 4.296 20 0 FIADHO C/C(=C\c1ccccc1OC(F)F)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000516689868 1099728562 /nfs/dbraw/zinc/72/85/62/1099728562.db2.gz LLWBASXNKNNBFG-CWWKMALHSA-N 1 3 350.453 4.296 20 0 FIADHO CCOc1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)ccc1O ZINC000459392501 1100116848 /nfs/dbraw/zinc/11/68/48/1100116848.db2.gz UMEFDIGBIFTMLI-UHFFFAOYSA-N 1 3 368.521 4.457 20 0 FIADHO CCOc1cc(CNCc2cccc(C[N@H+](C)CC)c2)cc(Cl)c1O ZINC000459416363 1100143168 /nfs/dbraw/zinc/14/31/68/1100143168.db2.gz XIKPDVNISPEOEV-UHFFFAOYSA-N 1 3 362.901 4.186 20 0 FIADHO CCOc1cc(CNCc2cccc(C[N@@H+](C)CC)c2)cc(Cl)c1O ZINC000459416363 1100143177 /nfs/dbraw/zinc/14/31/77/1100143177.db2.gz XIKPDVNISPEOEV-UHFFFAOYSA-N 1 3 362.901 4.186 20 0 FIADHO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000517187773 1100160167 /nfs/dbraw/zinc/16/01/67/1100160167.db2.gz YKJJSRKGZYWFHP-JLMWRMLUSA-N 1 3 350.506 4.270 20 0 FIADHO CCN(Cc1ccc(-n2ccnc2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536709349 1100227740 /nfs/dbraw/zinc/22/77/40/1100227740.db2.gz BMPYGWYRGWKMGX-HSZRJFAPSA-N 1 3 374.532 4.216 20 0 FIADHO CCN(Cc1ccc(-n2ccnc2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536709349 1100227752 /nfs/dbraw/zinc/22/77/52/1100227752.db2.gz BMPYGWYRGWKMGX-HSZRJFAPSA-N 1 3 374.532 4.216 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641985 1100264154 /nfs/dbraw/zinc/26/41/54/1100264154.db2.gz DQRXOHMWIOJNEL-DHJUGAMNSA-N 1 3 350.506 4.325 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641985 1100264158 /nfs/dbraw/zinc/26/41/58/1100264158.db2.gz DQRXOHMWIOJNEL-DHJUGAMNSA-N 1 3 350.506 4.325 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@@H]4CC[N@H+](C)C[C@H]4C)cc3)ccc2O1 ZINC000536838064 1100349217 /nfs/dbraw/zinc/34/92/17/1100349217.db2.gz GNOJDLTZNSUSCX-DRSNIGMVSA-N 1 3 350.506 4.107 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@@H]4CC[N@@H+](C)C[C@H]4C)cc3)ccc2O1 ZINC000536838064 1100349226 /nfs/dbraw/zinc/34/92/26/1100349226.db2.gz GNOJDLTZNSUSCX-DRSNIGMVSA-N 1 3 350.506 4.107 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000536844284 1100356906 /nfs/dbraw/zinc/35/69/06/1100356906.db2.gz HWSNDMDHWMMEEG-PCCBWWKXSA-N 1 3 362.945 4.075 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000536861939 1100379464 /nfs/dbraw/zinc/37/94/64/1100379464.db2.gz IKPHQBXLUAJAPT-DAYGRLMNSA-N 1 3 368.974 4.356 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000536876228 1100398303 /nfs/dbraw/zinc/39/83/03/1100398303.db2.gz JRZLERCWJOQMIT-QGZVFWFLSA-N 1 3 369.322 4.428 20 0 FIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000426031404 1100682911 /nfs/dbraw/zinc/68/29/11/1100682911.db2.gz RSTBAUQQBMLUJQ-HBMCJLEFSA-N 1 3 357.929 4.481 20 0 FIADHO Cc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968723 1100838878 /nfs/dbraw/zinc/83/88/78/1100838878.db2.gz HJJVUKPKTQVCLH-FQEVSTJZSA-N 1 3 370.562 4.075 20 0 FIADHO Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968723 1100838885 /nfs/dbraw/zinc/83/88/85/1100838885.db2.gz HJJVUKPKTQVCLH-FQEVSTJZSA-N 1 3 370.562 4.075 20 0 FIADHO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)s1 ZINC000517968723 1100838895 /nfs/dbraw/zinc/83/88/95/1100838895.db2.gz HJJVUKPKTQVCLH-FQEVSTJZSA-N 1 3 370.562 4.075 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322395 1101267208 /nfs/dbraw/zinc/26/72/08/1101267208.db2.gz IQWAKACILAODOG-IIYDPXPESA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322395 1101267217 /nfs/dbraw/zinc/26/72/17/1101267217.db2.gz IQWAKACILAODOG-IIYDPXPESA-N 1 3 351.332 4.145 20 0 FIADHO CCC[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000536948231 1101369262 /nfs/dbraw/zinc/36/92/62/1101369262.db2.gz LBWLKNPDZOHHDB-SFHVURJKSA-N 1 3 351.332 4.364 20 0 FIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161996 1101487553 /nfs/dbraw/zinc/48/75/53/1101487553.db2.gz WNRSOGZEJKTBQW-LBPRGKRZSA-N 1 3 352.309 4.488 20 0 FIADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368357 1101937844 /nfs/dbraw/zinc/93/78/44/1101937844.db2.gz KFYJXOZIPMGACW-ZACQAIPSSA-N 1 3 350.934 4.222 20 0 FIADHO c1nc2cc(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629815 1102239981 /nfs/dbraw/zinc/23/99/81/1102239981.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2cc(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629815 1102239992 /nfs/dbraw/zinc/23/99/92/1102239992.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2ccc(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629815 1102240002 /nfs/dbraw/zinc/24/00/02/1102240002.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2ccc(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629815 1102240010 /nfs/dbraw/zinc/24/00/10/1102240010.db2.gz GXGJSSABDYOPFT-QHCPKHFHSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2cc(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629814 1102240818 /nfs/dbraw/zinc/24/08/18/1102240818.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2cc(CN3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc2[nH]1 ZINC000537629814 1102240825 /nfs/dbraw/zinc/24/08/25/1102240825.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2ccc(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629814 1102240832 /nfs/dbraw/zinc/24/08/32/1102240832.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 1 3 360.505 4.051 20 0 FIADHO c1nc2ccc(CN3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2[nH]1 ZINC000537629814 1102240839 /nfs/dbraw/zinc/24/08/39/1102240839.db2.gz GXGJSSABDYOPFT-HSZRJFAPSA-N 1 3 360.505 4.051 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000415012834 1102248330 /nfs/dbraw/zinc/24/83/30/1102248330.db2.gz XRYDZVWRFGZCPO-AHCXZYCDSA-N 1 3 358.423 4.230 20 0 FIADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCCS2 ZINC000187729021 1102304654 /nfs/dbraw/zinc/30/46/54/1102304654.db2.gz HXNPBQWMAWJYMB-FQEVSTJZSA-N 1 3 356.535 4.474 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(CO)c1 ZINC000121224809 1102348610 /nfs/dbraw/zinc/34/86/10/1102348610.db2.gz GYZATURYCFVEKU-OALUTQOASA-N 1 3 352.522 4.262 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(CO)c1 ZINC000121224809 1102348618 /nfs/dbraw/zinc/34/86/18/1102348618.db2.gz GYZATURYCFVEKU-OALUTQOASA-N 1 3 352.522 4.262 20 0 FIADHO Cc1ccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1 ZINC000532461119 1102360710 /nfs/dbraw/zinc/36/07/10/1102360710.db2.gz ZRFKZPOPFRYBKG-AWEZNQCLSA-N 1 3 365.949 4.264 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000532485505 1102426190 /nfs/dbraw/zinc/42/61/90/1102426190.db2.gz QLQCLTYVGHZPBN-GBXCKJPGSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485505 1102426200 /nfs/dbraw/zinc/42/62/00/1102426200.db2.gz QLQCLTYVGHZPBN-GBXCKJPGSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485505 1102426209 /nfs/dbraw/zinc/42/62/09/1102426209.db2.gz QLQCLTYVGHZPBN-GBXCKJPGSA-N 1 3 364.533 4.227 20 0 FIADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550881908 1102653686 /nfs/dbraw/zinc/65/36/86/1102653686.db2.gz FVONANQCVCXADB-VSKRKVRLSA-N 1 3 370.581 4.330 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887730 1102658198 /nfs/dbraw/zinc/65/81/98/1102658198.db2.gz ZFQBEMGUCRXEAO-UYAOXDASSA-N 1 3 370.562 4.328 20 0 FIADHO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887730 1102658210 /nfs/dbraw/zinc/65/82/10/1102658210.db2.gz ZFQBEMGUCRXEAO-UYAOXDASSA-N 1 3 370.562 4.328 20 0 FIADHO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccs1 ZINC000550887730 1102658213 /nfs/dbraw/zinc/65/82/13/1102658213.db2.gz ZFQBEMGUCRXEAO-UYAOXDASSA-N 1 3 370.562 4.328 20 0 FIADHO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271811 1102904901 /nfs/dbraw/zinc/90/49/01/1102904901.db2.gz XIMBYRNLJCAVDM-FGZHOGPDSA-N 1 3 370.581 4.474 20 0 FIADHO CO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087731 1102905738 /nfs/dbraw/zinc/90/57/38/1102905738.db2.gz ZIVADIBLRLFMAF-NJDAHSKKSA-N 1 3 358.913 4.453 20 0 FIADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000551087731 1102905743 /nfs/dbraw/zinc/90/57/43/1102905743.db2.gz ZIVADIBLRLFMAF-NJDAHSKKSA-N 1 3 358.913 4.453 20 0 FIADHO Cc1ccc2nc(CNCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246038 1103000545 /nfs/dbraw/zinc/00/05/45/1103000545.db2.gz PUUSGNMGPZUZDC-TZIWHRDSSA-N 1 3 362.521 4.033 20 0 FIADHO Cc1ccc2nc(CNCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246038 1103000559 /nfs/dbraw/zinc/00/05/59/1103000559.db2.gz PUUSGNMGPZUZDC-TZIWHRDSSA-N 1 3 362.521 4.033 20 0 FIADHO Cc1ccc2nc(CNCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246037 1103001583 /nfs/dbraw/zinc/00/15/83/1103001583.db2.gz PUUSGNMGPZUZDC-PZJWPPBQSA-N 1 3 362.521 4.033 20 0 FIADHO Cc1ccc2nc(CNCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000551246037 1103001596 /nfs/dbraw/zinc/00/15/96/1103001596.db2.gz PUUSGNMGPZUZDC-PZJWPPBQSA-N 1 3 362.521 4.033 20 0 FIADHO CC1(C)Cc2cc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679962 1103042150 /nfs/dbraw/zinc/04/21/50/1103042150.db2.gz SJTAOMYWRGFNGH-SFHVURJKSA-N 1 3 370.562 4.463 20 0 FIADHO CC1(C)Cc2cc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679962 1103042168 /nfs/dbraw/zinc/04/21/68/1103042168.db2.gz SJTAOMYWRGFNGH-SFHVURJKSA-N 1 3 370.562 4.463 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288701 1103048770 /nfs/dbraw/zinc/04/87/70/1103048770.db2.gz WDCRPGVNZZWBOT-GOSISDBHSA-N 1 3 374.488 4.410 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288701 1103048789 /nfs/dbraw/zinc/04/87/89/1103048789.db2.gz WDCRPGVNZZWBOT-GOSISDBHSA-N 1 3 374.488 4.410 20 0 FIADHO C[C@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288702 1103049232 /nfs/dbraw/zinc/04/92/32/1103049232.db2.gz WDCRPGVNZZWBOT-SFHVURJKSA-N 1 3 374.488 4.410 20 0 FIADHO C[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn2ccccc2n1 ZINC000551288702 1103049248 /nfs/dbraw/zinc/04/92/48/1103049248.db2.gz WDCRPGVNZZWBOT-SFHVURJKSA-N 1 3 374.488 4.410 20 0 FIADHO COC[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789936 1103854301 /nfs/dbraw/zinc/85/43/01/1103854301.db2.gz IDSRTACGPAATKR-WIYYLYMNSA-N 1 3 358.913 4.139 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2s1 ZINC000188244041 1104091547 /nfs/dbraw/zinc/09/15/47/1104091547.db2.gz PBGLPAFLCDRNNL-IPELMVKDSA-N 1 3 358.551 4.320 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000520203313 1104171180 /nfs/dbraw/zinc/17/11/80/1104171180.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000520203313 1104171185 /nfs/dbraw/zinc/17/11/85/1104171185.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000520203313 1104171188 /nfs/dbraw/zinc/17/11/88/1104171188.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000520203313 1104171195 /nfs/dbraw/zinc/17/11/95/1104171195.db2.gz XCSBFXJNZTXZOZ-HDICACEKSA-N 1 3 362.521 4.331 20 0 FIADHO c1ccc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995571 1104518195 /nfs/dbraw/zinc/51/81/95/1104518195.db2.gz JJAUVSBPEVMSLA-CBQGHPETSA-N 1 3 354.538 4.183 20 0 FIADHO c1ccc(OCC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995571 1104518201 /nfs/dbraw/zinc/51/82/01/1104518201.db2.gz JJAUVSBPEVMSLA-CBQGHPETSA-N 1 3 354.538 4.183 20 0 FIADHO c1ccc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167995571 1104518214 /nfs/dbraw/zinc/51/82/14/1104518214.db2.gz JJAUVSBPEVMSLA-CBQGHPETSA-N 1 3 354.538 4.183 20 0 FIADHO c1ccc2cc(OCCN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425121 1104563563 /nfs/dbraw/zinc/56/35/63/1104563563.db2.gz WOHDMGVPPHCSHQ-NFBKMPQASA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2cc(OCCN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425121 1104563568 /nfs/dbraw/zinc/56/35/68/1104563568.db2.gz WOHDMGVPPHCSHQ-NFBKMPQASA-N 1 3 350.506 4.167 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)oc3ccccc32)C[C@H](C)O1 ZINC000536413734 1104916553 /nfs/dbraw/zinc/91/65/53/1104916553.db2.gz DJXIPGRQWQXMMC-GASCZTMLSA-N 1 3 350.890 4.065 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000221982636 1104987759 /nfs/dbraw/zinc/98/77/59/1104987759.db2.gz VHBOYJAZPFNYGJ-KRWDZBQOSA-N 1 3 351.332 4.289 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531688706 1108056427 /nfs/dbraw/zinc/05/64/27/1108056427.db2.gz ALAPZIXHCZCULP-QGZVFWFLSA-N 1 3 363.505 4.018 20 0 FIADHO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000531707112 1108086659 /nfs/dbraw/zinc/08/66/59/1108086659.db2.gz ZPJDGOIDLNDVSM-PMUMKWKESA-N 1 3 358.448 4.311 20 0 FIADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2sccc21 ZINC000453059816 1108137541 /nfs/dbraw/zinc/13/75/41/1108137541.db2.gz AHRGJRBXELXSRI-UWJYYQICSA-N 1 3 369.578 4.224 20 0 FIADHO Clc1ccc([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000453112607 1108180286 /nfs/dbraw/zinc/18/02/86/1108180286.db2.gz QYPTWSTVPOJNGQ-IIBYNOLFSA-N 1 3 362.945 4.272 20 0 FIADHO CCC1(CN[C@H]2C[C@H](C)n3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000453186676 1108256305 /nfs/dbraw/zinc/25/63/05/1108256305.db2.gz WZMBFWNAUUPWLN-ICSRJNTNSA-N 1 3 352.526 4.171 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208584 1108278244 /nfs/dbraw/zinc/27/82/44/1108278244.db2.gz CHGGIICGGLSGCJ-PZJWPPBQSA-N 1 3 374.532 4.260 20 0 FIADHO c1cc2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@H]43)nc2[nH]1 ZINC000453263046 1108337227 /nfs/dbraw/zinc/33/72/27/1108337227.db2.gz YLYABPCJJUQXOI-FKBYEOEOSA-N 1 3 360.505 4.096 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000531944983 1108389002 /nfs/dbraw/zinc/38/90/02/1108389002.db2.gz PDXVSOGYFUOHMB-KRWDZBQOSA-N 1 3 368.525 4.129 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1OC ZINC000453388510 1108473618 /nfs/dbraw/zinc/47/36/18/1108473618.db2.gz WOFFGNZOKRUJKD-AVRDEDQJSA-N 1 3 360.542 4.101 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)ccc1OC ZINC000453388510 1108473624 /nfs/dbraw/zinc/47/36/24/1108473624.db2.gz WOFFGNZOKRUJKD-AVRDEDQJSA-N 1 3 360.542 4.101 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000447587042 1109588356 /nfs/dbraw/zinc/58/83/56/1109588356.db2.gz PYENBPMAUKTDRD-JENIJYKNSA-N 1 3 370.493 4.018 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587042 1109588358 /nfs/dbraw/zinc/58/83/58/1109588358.db2.gz PYENBPMAUKTDRD-JENIJYKNSA-N 1 3 370.493 4.018 20 0 FIADHO Fc1ccc(F)c(CNCC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000527681526 1109809893 /nfs/dbraw/zinc/80/98/93/1109809893.db2.gz BDUFCCVBOBTKJK-UHFFFAOYSA-N 1 3 351.828 4.019 20 0 FIADHO Cc1ccccc1-c1ccccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000449043897 1109966321 /nfs/dbraw/zinc/96/63/21/1109966321.db2.gz AJEDRZVTLKMUHV-AGILITTLSA-N 1 3 364.533 4.346 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc3c(OC)cccc23)[C@@H](C)C1 ZINC000449137081 1109983831 /nfs/dbraw/zinc/98/38/31/1109983831.db2.gz DJJXNOLKXCRUQB-AVRDEDQJSA-N 1 3 370.537 4.075 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc3c(OC)cccc23)[C@@H](C)C1 ZINC000449137081 1109983834 /nfs/dbraw/zinc/98/38/34/1109983834.db2.gz DJJXNOLKXCRUQB-AVRDEDQJSA-N 1 3 370.537 4.075 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2(C(F)(F)F)CCC2)CC1 ZINC000449320858 1110033162 /nfs/dbraw/zinc/03/31/62/1110033162.db2.gz KIGBPQQGLVJONO-INIZCTEOSA-N 1 3 354.460 4.404 20 0 FIADHO COc1ccccc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000538724429 1111263473 /nfs/dbraw/zinc/26/34/73/1111263473.db2.gz JJSSMFWYPUGJHE-UHFFFAOYSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000538724429 1111263478 /nfs/dbraw/zinc/26/34/78/1111263478.db2.gz JJSSMFWYPUGJHE-UHFFFAOYSA-N 1 3 350.506 4.183 20 0 FIADHO c1[nH]nc2c1cccc2CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000538733506 1111269300 /nfs/dbraw/zinc/26/93/00/1111269300.db2.gz YODXIXGUJCREMX-QHCPKHFHSA-N 1 3 360.505 4.051 20 0 FIADHO c1[nH]nc2c1cccc2CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000538733506 1111269303 /nfs/dbraw/zinc/26/93/03/1111269303.db2.gz YODXIXGUJCREMX-QHCPKHFHSA-N 1 3 360.505 4.051 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(-c2ccccc2)c1 ZINC000539062253 1111408206 /nfs/dbraw/zinc/40/82/06/1111408206.db2.gz VQBMQUPHQBNXLY-GKVQRAMASA-N 1 3 364.533 4.382 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1O2 ZINC000539368385 1111533007 /nfs/dbraw/zinc/53/30/07/1111533007.db2.gz QBZQDNYTBOAVAJ-FQEVSTJZSA-N 1 3 370.924 4.460 20 0 FIADHO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552047832 1111556977 /nfs/dbraw/zinc/55/69/77/1111556977.db2.gz ZZWDWZFRVYJIAF-BHIFYINESA-N 1 3 358.570 4.066 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000552062592 1111562837 /nfs/dbraw/zinc/56/28/37/1111562837.db2.gz AGTKBNUBJBPMJL-GPJHCHHRSA-N 1 3 368.565 4.369 20 0 FIADHO CC(C)(C)n1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000552274011 1111654306 /nfs/dbraw/zinc/65/43/06/1111654306.db2.gz ZGTAVNDUPKHBNM-UHFFFAOYSA-N 1 3 366.553 4.126 20 0 FIADHO CC(C)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1F ZINC000479055242 1111937881 /nfs/dbraw/zinc/93/78/81/1111937881.db2.gz GXTOKFXUXLOGOY-JXXFODFXSA-N 1 3 354.485 4.141 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000479463556 1112033386 /nfs/dbraw/zinc/03/33/86/1112033386.db2.gz IPRVUYDLNSKAJR-MJGOQNOKSA-N 1 3 355.501 4.064 20 0 FIADHO COc1cc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369453 1112320392 /nfs/dbraw/zinc/32/03/92/1112320392.db2.gz GYHBPDIQENWHAC-ZIFCJYIRSA-N 1 3 371.500 4.181 20 0 FIADHO COc1cc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000554369453 1112320398 /nfs/dbraw/zinc/32/03/98/1112320398.db2.gz GYHBPDIQENWHAC-ZIFCJYIRSA-N 1 3 371.500 4.181 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)CC1 ZINC000480720862 1112562477 /nfs/dbraw/zinc/56/24/77/1112562477.db2.gz LJZIZTSMPWMALQ-OAQYLSRUSA-N 1 3 369.578 4.053 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000480724590 1112572538 /nfs/dbraw/zinc/57/25/38/1112572538.db2.gz CPSQHLAMQBGISK-JOCHJYFZSA-N 1 3 356.485 4.323 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745486 1112583533 /nfs/dbraw/zinc/58/35/33/1112583533.db2.gz OLIAEJIZOAIMMU-NVGVWMPQSA-N 1 3 355.295 4.112 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745486 1112583535 /nfs/dbraw/zinc/58/35/35/1112583535.db2.gz OLIAEJIZOAIMMU-NVGVWMPQSA-N 1 3 355.295 4.112 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000480763950 1112592802 /nfs/dbraw/zinc/59/28/02/1112592802.db2.gz WYYFHPOWPHGXCY-HXUWFJFHSA-N 1 3 351.966 4.044 20 0 FIADHO FC(F)(F)c1ccccc1OCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000554972301 1112599822 /nfs/dbraw/zinc/59/98/22/1112599822.db2.gz JCJRYGSLLDEXEN-KRWDZBQOSA-N 1 3 370.459 4.282 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480810377 1112615967 /nfs/dbraw/zinc/61/59/67/1112615967.db2.gz DYVQUYMOWXFHPL-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480810377 1112615969 /nfs/dbraw/zinc/61/59/69/1112615969.db2.gz DYVQUYMOWXFHPL-CVDCTZTESA-N 1 3 352.522 4.223 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000480832545 1112631887 /nfs/dbraw/zinc/63/18/87/1112631887.db2.gz KDTYQFKZPXUHBQ-SELNLUPBSA-N 1 3 370.512 4.394 20 0 FIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000162867358 1112844251 /nfs/dbraw/zinc/84/42/51/1112844251.db2.gz VQXRRNULMZRFQQ-OAGGEKHMSA-N 1 3 367.603 4.289 20 0 FIADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CCCO2 ZINC000482439003 1113260026 /nfs/dbraw/zinc/26/00/26/1113260026.db2.gz NWLQIUWJEUXNBY-JTHBVZDNSA-N 1 3 364.533 4.363 20 0 FIADHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451275 1113263496 /nfs/dbraw/zinc/26/34/96/1113263496.db2.gz RXCFWQDHBBSMNC-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451275 1113263503 /nfs/dbraw/zinc/26/35/03/1113263503.db2.gz RXCFWQDHBBSMNC-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451275 1113263506 /nfs/dbraw/zinc/26/35/06/1113263506.db2.gz RXCFWQDHBBSMNC-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO COc1cccc2c1CC[C@H]2NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000483159845 1113451156 /nfs/dbraw/zinc/45/11/56/1113451156.db2.gz SNJJFVFKFIFQJB-VGOFRKELSA-N 1 3 350.506 4.498 20 0 FIADHO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486487856 1113579865 /nfs/dbraw/zinc/57/98/65/1113579865.db2.gz KNNYKMKWXKOREK-APWZRJJASA-N 1 3 360.448 4.288 20 0 FIADHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000486521727 1113590249 /nfs/dbraw/zinc/59/02/49/1113590249.db2.gz XAIMUVYCQQSQBA-XLIONFOSSA-N 1 3 370.562 4.417 20 0 FIADHO Fc1ccc2cc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690393 1113624319 /nfs/dbraw/zinc/62/43/19/1113624319.db2.gz SSTKKVOFZAQAPU-HNNXBMFYSA-N 1 3 357.498 4.370 20 0 FIADHO Fc1ccc2cc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690393 1113624323 /nfs/dbraw/zinc/62/43/23/1113624323.db2.gz SSTKKVOFZAQAPU-HNNXBMFYSA-N 1 3 357.498 4.370 20 0 FIADHO Fc1ccc2cc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000486724065 1113629632 /nfs/dbraw/zinc/62/96/32/1113629632.db2.gz URHICUGKGCMKCK-UHFFFAOYSA-N 1 3 367.468 4.071 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000571466596 1114466144 /nfs/dbraw/zinc/46/61/44/1114466144.db2.gz BTYAFUDKVIUIDA-QZTJIDSGSA-N 1 3 353.510 4.315 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000571466596 1114466145 /nfs/dbraw/zinc/46/61/45/1114466145.db2.gz BTYAFUDKVIUIDA-QZTJIDSGSA-N 1 3 353.510 4.315 20 0 FIADHO C[C@@H](c1ccccc1Cl)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710761 1114601739 /nfs/dbraw/zinc/60/17/39/1114601739.db2.gz LARARRYYLMKYRW-ZACQAIPSSA-N 1 3 350.934 4.222 20 0 FIADHO c1ccc(C2=CCCN(CCCC[N@@H+]3CCC=C(c4ccccn4)C3)C2)nc1 ZINC000572254384 1114619715 /nfs/dbraw/zinc/61/97/15/1114619715.db2.gz MVJXCCONESDMCW-UHFFFAOYSA-N 1 3 374.532 4.135 20 0 FIADHO c1ccc(C2=CCCN(CCCC[N@H+]3CCC=C(c4ccccn4)C3)C2)nc1 ZINC000572254384 1114619717 /nfs/dbraw/zinc/61/97/17/1114619717.db2.gz MVJXCCONESDMCW-UHFFFAOYSA-N 1 3 374.532 4.135 20 0 FIADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]CC1CCN(Cc3ccccc3F)CC1)C2 ZINC001168414625 1115777831 /nfs/dbraw/zinc/77/78/31/1115777831.db2.gz HKDVBRRYMMRYLP-JOCHJYFZSA-N 1 3 370.487 4.324 20 0 FIADHO COc1cccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000669683862 1115782620 /nfs/dbraw/zinc/78/26/20/1115782620.db2.gz YTDFSULSLHMRBH-IEBWSBKVSA-N 1 3 356.485 4.225 20 0 FIADHO COc1cccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683862 1115782623 /nfs/dbraw/zinc/78/26/23/1115782623.db2.gz YTDFSULSLHMRBH-IEBWSBKVSA-N 1 3 356.485 4.225 20 0 FIADHO FC(F)Sc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173956444 1116101570 /nfs/dbraw/zinc/10/15/70/1116101570.db2.gz UOENRLFTDKAVIE-UHFFFAOYSA-N 1 3 370.509 4.078 20 0 FIADHO CC(C)[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2ccccc2o1 ZINC000539559773 1116343918 /nfs/dbraw/zinc/34/39/18/1116343918.db2.gz BZYWQXRUURTQBS-QFIPXVFZSA-N 1 3 367.493 4.255 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514034 1116356825 /nfs/dbraw/zinc/35/68/25/1116356825.db2.gz OEUDNMIWEYKUFT-QUCCMNQESA-N 1 3 350.506 4.184 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311514034 1116356828 /nfs/dbraw/zinc/35/68/28/1116356828.db2.gz OEUDNMIWEYKUFT-QUCCMNQESA-N 1 3 350.506 4.184 20 0 FIADHO C[NH+](C)CC1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539842364 1116389702 /nfs/dbraw/zinc/38/97/02/1116389702.db2.gz UGVKUCSOXBJYQG-GOSISDBHSA-N 1 3 351.332 4.100 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000539898427 1117740404 /nfs/dbraw/zinc/74/04/04/1117740404.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 1 3 369.597 4.093 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000539898427 1117740406 /nfs/dbraw/zinc/74/04/06/1117740406.db2.gz QTBJBCQNBOVJRK-GGAORHGYSA-N 1 3 369.597 4.093 20 0 FIADHO Fc1ccccc1N1CC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000462801312 1117785262 /nfs/dbraw/zinc/78/52/62/1117785262.db2.gz BYUTYXTZNLYIBP-GOSISDBHSA-N 1 3 359.533 4.039 20 0 FIADHO Oc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)CCC2 ZINC000462887419 1117828398 /nfs/dbraw/zinc/82/83/98/1117828398.db2.gz JMABKFIZQDTIGG-HRAATJIYSA-N 1 3 356.535 4.333 20 0 FIADHO Oc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000462887419 1117828403 /nfs/dbraw/zinc/82/84/03/1117828403.db2.gz JMABKFIZQDTIGG-HRAATJIYSA-N 1 3 356.535 4.333 20 0 FIADHO Cc1nc2ccccc2n1CCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000463090663 1117962517 /nfs/dbraw/zinc/96/25/17/1117962517.db2.gz SSDMLFZBIBJDQL-OAQYLSRUSA-N 1 3 368.569 4.465 20 0 FIADHO Fc1ccc(CC[NH+]2CCC(N[C@@H]3CCc4c3cccc4F)CC2)cc1 ZINC000463115067 1117970515 /nfs/dbraw/zinc/97/05/15/1117970515.db2.gz IMUNNRMWFNGKBM-JOCHJYFZSA-N 1 3 356.460 4.249 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130464 1117976537 /nfs/dbraw/zinc/97/65/37/1117976537.db2.gz WNWLUKXCYQRGBI-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130464 1117976540 /nfs/dbraw/zinc/97/65/40/1117976540.db2.gz WNWLUKXCYQRGBI-KNQAVFIVSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)Oc1ccccc1 ZINC000540493480 1118091531 /nfs/dbraw/zinc/09/15/31/1118091531.db2.gz BAMTVGHIAHMYNP-NQIIRXRSSA-N 1 3 366.505 4.032 20 0 FIADHO Cn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000540495716 1118092604 /nfs/dbraw/zinc/09/26/04/1118092604.db2.gz GCYIFLXOCWNGQX-UHFFFAOYSA-N 1 3 368.569 4.062 20 0 FIADHO Cn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000540495716 1118092608 /nfs/dbraw/zinc/09/26/08/1118092608.db2.gz GCYIFLXOCWNGQX-UHFFFAOYSA-N 1 3 368.569 4.062 20 0 FIADHO Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000541738765 1118627479 /nfs/dbraw/zinc/62/74/79/1118627479.db2.gz OYIGZMXYUSVTNM-RZXSNQJFSA-N 1 3 369.578 4.445 20 0 FIADHO C[N@H+](CCSc1ccccc1F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464846015 1118719257 /nfs/dbraw/zinc/71/92/57/1118719257.db2.gz IESZAUNMKAVXTP-IBGZPJMESA-N 1 3 358.526 4.372 20 0 FIADHO C[N@@H+](CCSc1ccccc1F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464846015 1118719262 /nfs/dbraw/zinc/71/92/62/1118719262.db2.gz IESZAUNMKAVXTP-IBGZPJMESA-N 1 3 358.526 4.372 20 0 FIADHO C[C@@H]([NH2+]CCOc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492379028 1119079590 /nfs/dbraw/zinc/07/95/90/1119079590.db2.gz WBRUPHQOPRUOFF-IEBWSBKVSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@@H](NCCOc1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492379028 1119079593 /nfs/dbraw/zinc/07/95/93/1119079593.db2.gz WBRUPHQOPRUOFF-IEBWSBKVSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@@H](NCCOc1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492379028 1119079596 /nfs/dbraw/zinc/07/95/96/1119079596.db2.gz WBRUPHQOPRUOFF-IEBWSBKVSA-N 1 3 358.913 4.219 20 0 FIADHO CC(C)(C)OC(=O)CCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000178119406 1119372573 /nfs/dbraw/zinc/37/25/73/1119372573.db2.gz IGCZDFMFCYUYOK-UHFFFAOYSA-N 1 3 352.563 4.275 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000189257405 1119877405 /nfs/dbraw/zinc/87/74/05/1119877405.db2.gz WQNGHFOKUFLRJR-BUNPMSMLSA-N 1 3 356.554 4.082 20 0 FIADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1Cl ZINC000192788076 1120083551 /nfs/dbraw/zinc/08/35/51/1120083551.db2.gz IWAUUDVFSRHCTL-FQEVSTJZSA-N 1 3 351.966 4.043 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136401 1120120825 /nfs/dbraw/zinc/12/08/25/1120120825.db2.gz SVKGHSHVDXGSST-REWPJTCUSA-N 1 3 374.532 4.104 20 0 FIADHO Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000495077986 1120462175 /nfs/dbraw/zinc/46/21/75/1120462175.db2.gz HAXPCPGZTMLTIU-HTAPYJJXSA-N 1 3 360.517 4.290 20 0 FIADHO Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000495077989 1120462794 /nfs/dbraw/zinc/46/27/94/1120462794.db2.gz HAXPCPGZTMLTIU-VGSWGCGISA-N 1 3 360.517 4.290 20 0 FIADHO Clc1cccc([C@H](Cc2cccnc2)NC2CC[NH+](C3CC3)CC2)c1 ZINC000495261188 1120595067 /nfs/dbraw/zinc/59/50/67/1120595067.db2.gz VKBDMZRFRAFFFD-NRFANRHFSA-N 1 3 355.913 4.235 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744911 1121662926 /nfs/dbraw/zinc/66/29/26/1121662926.db2.gz DWZQZXVSCWHZBB-HUUCEWRRSA-N 1 3 371.506 4.158 20 0 FIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744911 1121662929 /nfs/dbraw/zinc/66/29/29/1121662929.db2.gz DWZQZXVSCWHZBB-HUUCEWRRSA-N 1 3 371.506 4.158 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125614676 1121797413 /nfs/dbraw/zinc/79/74/13/1121797413.db2.gz AQNVUVGRPVRVIY-HOTGVXAUSA-N 1 3 358.555 4.286 20 0 FIADHO Brc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)s1 ZINC000671764912 1121815708 /nfs/dbraw/zinc/81/57/08/1121815708.db2.gz UYKYVFXNUGVICK-KGLIPLIRSA-N 1 3 369.372 4.149 20 0 FIADHO Brc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)s1 ZINC000671764912 1121815724 /nfs/dbraw/zinc/81/57/24/1121815724.db2.gz UYKYVFXNUGVICK-KGLIPLIRSA-N 1 3 369.372 4.149 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125730269 1121819258 /nfs/dbraw/zinc/81/92/58/1121819258.db2.gz YLZNBVBGADXAEW-MOPGFXCFSA-N 1 3 374.573 4.331 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCO2)cc1 ZINC001168611642 1122009190 /nfs/dbraw/zinc/00/91/90/1122009190.db2.gz WJOYKVYUNLVRHQ-PXNSSMCTSA-N 1 3 360.542 4.156 20 0 FIADHO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000542693570 1122289403 /nfs/dbraw/zinc/28/94/03/1122289403.db2.gz JVPIFISCNOFNHN-OWQUAZCHSA-N 1 3 356.460 4.478 20 0 FIADHO COc1cccc(N2CCC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000128745083 1122395536 /nfs/dbraw/zinc/39/55/36/1122395536.db2.gz TYEYEKJAKTVWIT-FQEVSTJZSA-N 1 3 371.569 4.051 20 0 FIADHO CC(C)CC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231519 1122749031 /nfs/dbraw/zinc/74/90/31/1122749031.db2.gz WFPYVTVTSFAHED-UNMCSNQZSA-N 1 3 358.570 4.330 20 0 FIADHO Cc1cc([C@@H](NCCCCC[NH+]2CCCC2)c2cccnc2)ccc1F ZINC000556233978 1122750748 /nfs/dbraw/zinc/75/07/48/1122750748.db2.gz UBGCQQGPRXVPEA-JOCHJYFZSA-N 1 3 355.501 4.474 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233988 1122750830 /nfs/dbraw/zinc/75/08/30/1122750830.db2.gz UJYVMEQNCIFCKZ-SIKLNZKXSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCc4ccccn4)[C@H]3C2)cc1 ZINC000556887499 1123164071 /nfs/dbraw/zinc/16/40/71/1123164071.db2.gz YKBVIFKIDPXNGC-XWGVYQGASA-N 1 3 363.549 4.295 20 0 FIADHO CC(C)CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000556889925 1123177536 /nfs/dbraw/zinc/17/75/36/1123177536.db2.gz KVFYDOCECGMMFE-VXKWHMMOSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000556889925 1123177540 /nfs/dbraw/zinc/17/75/40/1123177540.db2.gz KVFYDOCECGMMFE-VXKWHMMOSA-N 1 3 356.510 4.113 20 0 FIADHO Clc1ccc([C@H](C[NH2+]C2CCN(CC3CC3)CC2)OCC2CC2)cc1 ZINC000556913889 1123222462 /nfs/dbraw/zinc/22/24/62/1123222462.db2.gz VPAWVZPKKAGSOB-NRFANRHFSA-N 1 3 362.945 4.272 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000132427052 1123255716 /nfs/dbraw/zinc/25/57/16/1123255716.db2.gz JQVQAJMRHDVLLO-SFHVURJKSA-N 1 3 363.427 4.329 20 0 FIADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499158122 1123298074 /nfs/dbraw/zinc/29/80/74/1123298074.db2.gz RSQKKRXQADZBKE-FXILAVBZSA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158122 1123298081 /nfs/dbraw/zinc/29/80/81/1123298081.db2.gz RSQKKRXQADZBKE-FXILAVBZSA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232150 1123340789 /nfs/dbraw/zinc/34/07/89/1123340789.db2.gz GOWJZYVXIDNGMG-JKLQHZFJSA-N 1 3 350.506 4.239 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232150 1123340792 /nfs/dbraw/zinc/34/07/92/1123340792.db2.gz GOWJZYVXIDNGMG-JKLQHZFJSA-N 1 3 350.506 4.239 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250185 1123358075 /nfs/dbraw/zinc/35/80/75/1123358075.db2.gz LTXODGDYFUCAJX-MVWVFHAYSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250185 1123358081 /nfs/dbraw/zinc/35/80/81/1123358081.db2.gz LTXODGDYFUCAJX-MVWVFHAYSA-N 1 3 368.496 4.378 20 0 FIADHO Cc1cc(CN2CCC(CC[NH+](C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000133461570 1123489840 /nfs/dbraw/zinc/48/98/40/1123489840.db2.gz SCXVFWFGXWDNSZ-UHFFFAOYSA-N 1 3 372.944 4.269 20 0 FIADHO C[C@H](N[C@H]1CCCOc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000133525025 1123495959 /nfs/dbraw/zinc/49/59/59/1123495959.db2.gz PGIAEJVMFWCENG-UWJYYQICSA-N 1 3 354.494 4.192 20 0 FIADHO C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000133524792 1123496169 /nfs/dbraw/zinc/49/61/69/1123496169.db2.gz PGIAEJVMFWCENG-DYESRHJHSA-N 1 3 354.494 4.192 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(CC)s2)CC1 ZINC000236802417 1123567575 /nfs/dbraw/zinc/56/75/75/1123567575.db2.gz RJAHBHSNMGUHFV-UHFFFAOYSA-N 1 3 357.567 4.132 20 0 FIADHO CCCN1CCN(c2ccccc2C[NH2+]Cc2ccc(CC)s2)CC1 ZINC000236802417 1123567579 /nfs/dbraw/zinc/56/75/79/1123567579.db2.gz RJAHBHSNMGUHFV-UHFFFAOYSA-N 1 3 357.567 4.132 20 0 FIADHO COc1cccc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000642622017 1124338808 /nfs/dbraw/zinc/33/88/08/1124338808.db2.gz BQCHEOBPDZRQAL-KDURUIRLSA-N 1 3 352.522 4.463 20 0 FIADHO COc1cccc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000642622017 1124338812 /nfs/dbraw/zinc/33/88/12/1124338812.db2.gz BQCHEOBPDZRQAL-KDURUIRLSA-N 1 3 352.522 4.463 20 0 FIADHO Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)oc2cc1C ZINC000246500355 1124518661 /nfs/dbraw/zinc/51/86/61/1124518661.db2.gz SOADPUBJPVQBDF-IOMROCGXSA-N 1 3 370.537 4.468 20 0 FIADHO C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246993444 1124579915 /nfs/dbraw/zinc/57/99/15/1124579915.db2.gz KYLRQJPRYWOAEC-NMNUPHIUSA-N 1 3 368.521 4.198 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2F)[C@H](C)C1 ZINC000247943660 1124732751 /nfs/dbraw/zinc/73/27/51/1124732751.db2.gz DGZZGWVGZKJYJG-YSGRDPCXSA-N 1 3 354.485 4.143 20 0 FIADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000248457629 1124772306 /nfs/dbraw/zinc/77/23/06/1124772306.db2.gz TVMGNQQGTZXBND-UNMCSNQZSA-N 1 3 370.924 4.074 20 0 FIADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000248457629 1124772317 /nfs/dbraw/zinc/77/23/17/1124772317.db2.gz TVMGNQQGTZXBND-UNMCSNQZSA-N 1 3 370.924 4.074 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249205526 1124851072 /nfs/dbraw/zinc/85/10/72/1124851072.db2.gz VRWZETWYIYLZKB-VXKWHMMOSA-N 1 3 356.485 4.023 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000249205526 1124851079 /nfs/dbraw/zinc/85/10/79/1124851079.db2.gz VRWZETWYIYLZKB-VXKWHMMOSA-N 1 3 356.485 4.023 20 0 FIADHO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000089703436 1124929017 /nfs/dbraw/zinc/92/90/17/1124929017.db2.gz UVBAYVYRNFTYPJ-DJJJIMSYSA-N 1 3 369.336 4.071 20 0 FIADHO Fc1ccc([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000091343528 1125067582 /nfs/dbraw/zinc/06/75/82/1125067582.db2.gz GPQFBWPNINIGDL-VGOFRKELSA-N 1 3 360.517 4.148 20 0 FIADHO CN(C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119848 568224572 /nfs/dbraw/zinc/22/45/72/568224572.db2.gz JPUMPQLUMXKNFC-RTWAWAEBSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119848 568224573 /nfs/dbraw/zinc/22/45/73/568224573.db2.gz JPUMPQLUMXKNFC-RTWAWAEBSA-N 1 3 369.578 4.138 20 0 FIADHO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644119 1125470498 /nfs/dbraw/zinc/47/04/98/1125470498.db2.gz HWXPMZNUASFROC-YLJYHZDGSA-N 1 3 368.521 4.285 20 0 FIADHO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644119 1125470502 /nfs/dbraw/zinc/47/05/02/1125470502.db2.gz HWXPMZNUASFROC-YLJYHZDGSA-N 1 3 368.521 4.285 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CSCCS2)ccc1OC ZINC000183093622 1125750088 /nfs/dbraw/zinc/75/00/88/1125750088.db2.gz WXNKWBOJXIGAMH-MAUKXSAKSA-N 1 3 368.612 4.036 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1OC ZINC000183129356 1125754605 /nfs/dbraw/zinc/75/46/05/1125754605.db2.gz MAMIWUIXBCKVFS-AQZFEABFSA-N 1 3 360.542 4.145 20 0 FIADHO COc1cc([C@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407211 1125789160 /nfs/dbraw/zinc/78/91/60/1125789160.db2.gz GASYZKZHMGLLHU-HOTGVXAUSA-N 1 3 362.514 4.459 20 0 FIADHO COc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407211 1125789164 /nfs/dbraw/zinc/78/91/64/1125789164.db2.gz GASYZKZHMGLLHU-HOTGVXAUSA-N 1 3 362.514 4.459 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000160278365 1080782552 /nfs/dbraw/zinc/78/25/52/1080782552.db2.gz PEKALXNEOVAJAY-INIZCTEOSA-N 1 3 361.917 4.306 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000398108111 1080785328 /nfs/dbraw/zinc/78/53/28/1080785328.db2.gz BZKGGEZKGJTIKC-NLSFWIRASA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000398108111 1080785339 /nfs/dbraw/zinc/78/53/39/1080785339.db2.gz BZKGGEZKGJTIKC-NLSFWIRASA-N 1 3 350.506 4.270 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000121263251 1080946848 /nfs/dbraw/zinc/94/68/48/1080946848.db2.gz LQYWAVOOYIJKPM-NRFANRHFSA-N 1 3 360.448 4.072 20 0 FIADHO CCC1(CN[C@@H]2CCCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000655738884 1081157205 /nfs/dbraw/zinc/15/72/05/1081157205.db2.gz ZAOBNUOOCJXJNY-HXUWFJFHSA-N 1 3 352.526 4.000 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000655851244 1081260225 /nfs/dbraw/zinc/26/02/25/1081260225.db2.gz CPDTVCHVGUKXQV-KNQAVFIVSA-N 1 3 356.554 4.163 20 0 FIADHO CCOCc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000151628836 1081433269 /nfs/dbraw/zinc/43/32/69/1081433269.db2.gz IZVDTEKJGZRGOU-UHFFFAOYSA-N 1 3 370.512 4.159 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000537956349 1081502629 /nfs/dbraw/zinc/50/26/29/1081502629.db2.gz NEIBTKNOENVGRG-IGNZVWTISA-N 1 3 357.325 4.022 20 0 FIADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000089582482 1081934780 /nfs/dbraw/zinc/93/47/80/1081934780.db2.gz VILQQVNWSVQOFL-FVQBIDKESA-N 1 3 369.372 4.146 20 0 FIADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000089582482 1081934781 /nfs/dbraw/zinc/93/47/81/1081934781.db2.gz VILQQVNWSVQOFL-FVQBIDKESA-N 1 3 369.372 4.146 20 0 FIADHO CO[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000684378131 1082793902 /nfs/dbraw/zinc/79/39/02/1082793902.db2.gz ZBNCPVHJRHBYKW-MOPGFXCFSA-N 1 3 350.934 4.099 20 0 FIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccccc2OC(F)F)CC1 ZINC000471764512 1082960991 /nfs/dbraw/zinc/96/09/91/1082960991.db2.gz YHJOXLNJVLOMIF-QFBILLFUSA-N 1 3 366.496 4.463 20 0 FIADHO CC(C)N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236599492 1083950867 /nfs/dbraw/zinc/95/08/67/1083950867.db2.gz UIVJZGRYJTXQLI-UHFFFAOYSA-N 1 3 355.309 4.232 20 0 FIADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157120691 1084322937 /nfs/dbraw/zinc/32/29/37/1084322937.db2.gz RDNIJXJVLJFBLM-QZTJIDSGSA-N 1 3 360.542 4.015 20 0 FIADHO Cn1ncc(C2CC2)c1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000657302275 1084332835 /nfs/dbraw/zinc/33/28/35/1084332835.db2.gz CFBOJRYRYCDUSO-UHFFFAOYSA-N 1 3 374.532 4.316 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000537973231 1084593546 /nfs/dbraw/zinc/59/35/46/1084593546.db2.gz ANVBWTFFZIKJQH-XHSDSOJGSA-N 1 3 358.448 4.245 20 0 FIADHO COCc1csc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000657373942 1084795305 /nfs/dbraw/zinc/79/53/05/1084795305.db2.gz AZDUGIDHGSKEMT-MAUKXSAKSA-N 1 3 350.553 4.129 20 0 FIADHO COCc1csc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000657373942 1084795308 /nfs/dbraw/zinc/79/53/08/1084795308.db2.gz AZDUGIDHGSKEMT-MAUKXSAKSA-N 1 3 350.553 4.129 20 0 FIADHO CCc1ccc([C@@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000472584594 1085047728 /nfs/dbraw/zinc/04/77/28/1085047728.db2.gz VLJUMWKWDZFUDS-NRFANRHFSA-N 1 3 361.574 4.175 20 0 FIADHO CCc1ccc([C@@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000472584594 1085047734 /nfs/dbraw/zinc/04/77/34/1085047734.db2.gz VLJUMWKWDZFUDS-NRFANRHFSA-N 1 3 361.574 4.175 20 0 FIADHO CC[N@H+](CCCNC1CCN(C(=O)CC(C)(C)C)CC1)C1CCCCC1 ZINC000651910346 1085632185 /nfs/dbraw/zinc/63/21/85/1085632185.db2.gz QABWLXHNQPFONT-UHFFFAOYSA-N 1 3 365.606 4.048 20 0 FIADHO CC[N@@H+](CCCNC1CCN(C(=O)CC(C)(C)C)CC1)C1CCCCC1 ZINC000651910346 1085632196 /nfs/dbraw/zinc/63/21/96/1085632196.db2.gz QABWLXHNQPFONT-UHFFFAOYSA-N 1 3 365.606 4.048 20 0 FIADHO C[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000657612678 1085697442 /nfs/dbraw/zinc/69/74/42/1085697442.db2.gz CIGQHTYPODBEEO-KRWDZBQOSA-N 1 3 357.929 4.340 20 0 FIADHO Clc1cccc2c1C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000657613757 1085700207 /nfs/dbraw/zinc/70/02/07/1085700207.db2.gz QXYMURGGOSPTDM-FQEVSTJZSA-N 1 3 369.940 4.094 20 0 FIADHO CC[NH+](CC)CCOc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000236874906 1085864248 /nfs/dbraw/zinc/86/42/48/1085864248.db2.gz YEBKHIULEYUOSL-UHFFFAOYSA-N 1 3 351.494 4.178 20 0 FIADHO CN(CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646579 1086010623 /nfs/dbraw/zinc/01/06/23/1086010623.db2.gz FKJDLBKNWSNSFQ-LADGPHEKSA-N 1 3 363.549 4.109 20 0 FIADHO CN(CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646579 1086010627 /nfs/dbraw/zinc/01/06/27/1086010627.db2.gz FKJDLBKNWSNSFQ-LADGPHEKSA-N 1 3 363.549 4.109 20 0 FIADHO C[C@H](NC/C=C/c1ccc(F)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511989775 1086583446 /nfs/dbraw/zinc/58/34/46/1086583446.db2.gz MEOUPPNUBBRVBC-DQHWKFJXSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H](NC/C=C/c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511989775 1086583458 /nfs/dbraw/zinc/58/34/58/1086583458.db2.gz MEOUPPNUBBRVBC-DQHWKFJXSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511989775 1086583465 /nfs/dbraw/zinc/58/34/65/1086583465.db2.gz MEOUPPNUBBRVBC-DQHWKFJXSA-N 1 3 356.460 4.478 20 0 FIADHO CC(C)C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccncc1 ZINC000647287942 1086605499 /nfs/dbraw/zinc/60/54/99/1086605499.db2.gz ZFSRJKUYGKGGNJ-JTHBVZDNSA-N 1 3 351.538 4.323 20 0 FIADHO Fc1ccc([C@@H](N[C@H]2CC23CC[NH2+]CC3)c2cnc3ccccc3c2)cc1 ZINC000643536989 1086648822 /nfs/dbraw/zinc/64/88/22/1086648822.db2.gz XUDOVRQUSCAYMV-FCHUYYIVSA-N 1 3 361.464 4.195 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427660 1086757855 /nfs/dbraw/zinc/75/78/55/1086757855.db2.gz DEAAFLUMQFXEHA-XXBNENTESA-N 1 3 370.512 4.200 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427660 1086757859 /nfs/dbraw/zinc/75/78/59/1086757859.db2.gz DEAAFLUMQFXEHA-XXBNENTESA-N 1 3 370.512 4.200 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773403 1086834073 /nfs/dbraw/zinc/83/40/73/1086834073.db2.gz RIDPVZYOPUJODQ-PXNSSMCTSA-N 1 3 353.485 4.174 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000650758308 1086973418 /nfs/dbraw/zinc/97/34/18/1086973418.db2.gz MZOXXPBAOFQIBY-CQSZACIVSA-N 1 3 352.400 4.198 20 0 FIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000584028464 1087121508 /nfs/dbraw/zinc/12/15/08/1087121508.db2.gz YGSNXZXLZUNDMF-OAHLLOKOSA-N 1 3 354.336 4.151 20 0 FIADHO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1)C1CC1 ZINC000536215354 1087467941 /nfs/dbraw/zinc/46/79/41/1087467941.db2.gz PVAIGBKJQBXMCN-UHFFFAOYSA-N 1 3 365.521 4.293 20 0 FIADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1)C1CC1 ZINC000536215354 1087467942 /nfs/dbraw/zinc/46/79/42/1087467942.db2.gz PVAIGBKJQBXMCN-UHFFFAOYSA-N 1 3 365.521 4.293 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc3ccncc3s2)[C@H](C)C1 ZINC000657884435 1087529041 /nfs/dbraw/zinc/52/90/41/1087529041.db2.gz UHSJMKHDBXGXON-NUJGCVRESA-N 1 3 361.555 4.084 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc3ccncc3s2)[C@H](C)C1 ZINC000657884435 1087529043 /nfs/dbraw/zinc/52/90/43/1087529043.db2.gz UHSJMKHDBXGXON-NUJGCVRESA-N 1 3 361.555 4.084 20 0 FIADHO CC[C@H](c1ccncc1)N(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470126 1087578549 /nfs/dbraw/zinc/57/85/49/1087578549.db2.gz ZEYLIQHGSNNQOK-JOCHJYFZSA-N 1 3 353.510 4.139 20 0 FIADHO CCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](C)c1cccnc1 ZINC000685469911 1087578558 /nfs/dbraw/zinc/57/85/58/1087578558.db2.gz NIIOGWZGQLMVGN-LJQANCHMSA-N 1 3 353.510 4.139 20 0 FIADHO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000685662042 1087666793 /nfs/dbraw/zinc/66/67/93/1087666793.db2.gz YZFGSYGQLKQZHW-JLMWRMLUSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@]1(C)OCCc2sccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685662042 1087666797 /nfs/dbraw/zinc/66/67/97/1087666797.db2.gz YZFGSYGQLKQZHW-JLMWRMLUSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@]1(C)OCCc2sccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662042 1087666802 /nfs/dbraw/zinc/66/68/02/1087666802.db2.gz YZFGSYGQLKQZHW-JLMWRMLUSA-N 1 3 370.562 4.036 20 0 FIADHO CC(C)C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccncc1 ZINC000658162840 1087758113 /nfs/dbraw/zinc/75/81/13/1087758113.db2.gz GOZKPQFRWYMDCL-QFIPXVFZSA-N 1 3 352.526 4.066 20 0 FIADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165703 1087759468 /nfs/dbraw/zinc/75/94/68/1087759468.db2.gz KOGDTNOYEFABAN-QHCPKHFHSA-N 1 3 351.538 4.295 20 0 FIADHO Cc1ccc(CC[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658164484 1087759621 /nfs/dbraw/zinc/75/96/21/1087759621.db2.gz DSEXDFWISXSLRH-HXUWFJFHSA-N 1 3 351.538 4.213 20 0 FIADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166198 1087763178 /nfs/dbraw/zinc/76/31/78/1087763178.db2.gz MYVFEBDZDWJWJE-QHCPKHFHSA-N 1 3 351.538 4.213 20 0 FIADHO C[C@@H](CCc1ccccc1F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165308 1087763335 /nfs/dbraw/zinc/76/33/35/1087763335.db2.gz IJCQZIOFOPWZEV-SFHVURJKSA-N 1 3 355.501 4.044 20 0 FIADHO Fc1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647542686 1088013288 /nfs/dbraw/zinc/01/32/88/1088013288.db2.gz ABBYVYMHAKRSCF-IAGOWNOFSA-N 1 3 359.514 4.161 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(Cl)c(Br)c2)cc1 ZINC000414811670 1088193343 /nfs/dbraw/zinc/19/33/43/1088193343.db2.gz QGLNYFAHENMGSF-LLVKDONJSA-N 1 3 353.691 4.412 20 0 FIADHO CCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OCC(C)C ZINC000414813837 1088215924 /nfs/dbraw/zinc/21/59/24/1088215924.db2.gz UQNCIQVQIPCZCG-KRWDZBQOSA-N 1 3 356.510 4.430 20 0 FIADHO CCCC[C@@H](CN)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414814862 1088239000 /nfs/dbraw/zinc/23/90/00/1088239000.db2.gz OGXSSHBLARKCTI-KRWDZBQOSA-N 1 3 359.901 4.199 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659285868 1088415371 /nfs/dbraw/zinc/41/53/71/1088415371.db2.gz SMEXWIPTMJZDDG-VGOFRKELSA-N 1 3 363.505 4.234 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659285868 1088415377 /nfs/dbraw/zinc/41/53/77/1088415377.db2.gz SMEXWIPTMJZDDG-VGOFRKELSA-N 1 3 363.505 4.234 20 0 FIADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000188286564 1088921369 /nfs/dbraw/zinc/92/13/69/1088921369.db2.gz RPDPKJGSKOKQBH-OAHLLOKOSA-N 1 3 355.507 4.088 20 0 FIADHO COc1sc(CN[C@H](CCC[NH3+])c2ccccc2)cc1Br ZINC000415057256 1089102402 /nfs/dbraw/zinc/10/24/02/1089102402.db2.gz RONJDIAHSXNFEC-OAHLLOKOSA-N 1 3 369.328 4.089 20 0 FIADHO c1ccc(-c2ccccc2OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415079094 1089134074 /nfs/dbraw/zinc/13/40/74/1089134074.db2.gz HFUKDONYDNWVRZ-BHDDXSALSA-N 1 3 350.506 4.243 20 0 FIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccncc2)cs1 ZINC000415083142 1089140009 /nfs/dbraw/zinc/14/00/09/1089140009.db2.gz MZCTZVFJFWZNLJ-AEFFLSMTSA-N 1 3 358.555 4.038 20 0 FIADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000415120968 1089182873 /nfs/dbraw/zinc/18/28/73/1089182873.db2.gz GWZRKDRRTQUJEA-PZJWPPBQSA-N 1 3 374.525 4.273 20 0 FIADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980290 1089727480 /nfs/dbraw/zinc/72/74/80/1089727480.db2.gz MQDDGMXLLGFDIG-FDDCHVKYSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980290 1089727497 /nfs/dbraw/zinc/72/74/97/1089727497.db2.gz MQDDGMXLLGFDIG-FDDCHVKYSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980297 1089736006 /nfs/dbraw/zinc/73/60/06/1089736006.db2.gz MQDDGMXLLGFDIG-WZONZLPQSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000311980297 1089736018 /nfs/dbraw/zinc/73/60/18/1089736018.db2.gz MQDDGMXLLGFDIG-WZONZLPQSA-N 1 3 350.506 4.184 20 0 FIADHO CN(c1ccccc1)c1ccc(CNCc2cccc(C[NH+](C)C)c2)cn1 ZINC000435775878 1089930429 /nfs/dbraw/zinc/93/04/29/1089930429.db2.gz AMRVFMCBMYWULT-UHFFFAOYSA-N 1 3 360.505 4.201 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000181924347 1090317553 /nfs/dbraw/zinc/31/75/53/1090317553.db2.gz SRYPAKBBTMUHRT-KRWDZBQOSA-N 1 3 353.510 4.338 20 0 FIADHO COc1ccc(-c2nc(CNC3CCC(C)([NH+](C)C)CC3)cs2)cc1 ZINC001203414980 1090322641 /nfs/dbraw/zinc/32/26/41/1090322641.db2.gz NLQCIOBXVOYSLU-UHFFFAOYSA-N 1 3 359.539 4.171 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCCCSC)cc1CN1CCCCC1 ZINC000182994567 1090385095 /nfs/dbraw/zinc/38/50/95/1090385095.db2.gz UYNOECYNMAMJOO-QGZVFWFLSA-N 1 3 350.572 4.475 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1CN1CCCCC1 ZINC000183301029 1090403270 /nfs/dbraw/zinc/40/32/70/1090403270.db2.gz NJPVCSXWOHGGII-ZWKOTPCHSA-N 1 3 362.558 4.129 20 0 FIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086767 1091029432 /nfs/dbraw/zinc/02/94/32/1091029432.db2.gz DQTKVMDTCRIDQP-CTNGQTDRSA-N 1 3 361.574 4.031 20 0 FIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086767 1091029439 /nfs/dbraw/zinc/02/94/39/1091029439.db2.gz DQTKVMDTCRIDQP-CTNGQTDRSA-N 1 3 361.574 4.031 20 0 FIADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000468795956 1091626953 /nfs/dbraw/zinc/62/69/53/1091626953.db2.gz CWIYTFRBQVOIEW-QHAWAJNXSA-N 1 3 362.945 4.149 20 0 FIADHO CO[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069321 1091811370 /nfs/dbraw/zinc/81/13/70/1091811370.db2.gz OPLBRZOCYAKNHH-FCHUYYIVSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069321 1091811375 /nfs/dbraw/zinc/81/13/75/1091811375.db2.gz OPLBRZOCYAKNHH-FCHUYYIVSA-N 1 3 352.522 4.264 20 0 FIADHO COc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1OC ZINC000500564078 1092232447 /nfs/dbraw/zinc/23/24/47/1092232447.db2.gz YVZFTFVVJJYUSY-IYBDPMFKSA-N 1 3 368.949 4.205 20 0 FIADHO COc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1OC ZINC000500564078 1092232451 /nfs/dbraw/zinc/23/24/51/1092232451.db2.gz YVZFTFVVJJYUSY-IYBDPMFKSA-N 1 3 368.949 4.205 20 0 FIADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(Br)cc2F)C1 ZINC000520949870 1092375259 /nfs/dbraw/zinc/37/52/59/1092375259.db2.gz UGAFKSHMMVTFBB-AWEZNQCLSA-N 1 3 357.311 4.190 20 0 FIADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(Br)cc2F)C1 ZINC000520949870 1092375272 /nfs/dbraw/zinc/37/52/72/1092375272.db2.gz UGAFKSHMMVTFBB-AWEZNQCLSA-N 1 3 357.311 4.190 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(COCc2ccco2)c1 ZINC000521025824 1092432766 /nfs/dbraw/zinc/43/27/66/1092432766.db2.gz RREHQHVCPWJFKR-MRXNPFEDSA-N 1 3 365.477 4.009 20 0 FIADHO c1cc2cc(CC[NH2+][C@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)ccc2[nH]1 ZINC000442820262 1092789390 /nfs/dbraw/zinc/78/93/90/1092789390.db2.gz KFBODLBSQYMZQM-ZDXQCDESSA-N 1 3 359.517 4.211 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC(C)(C)c3cc(OC)ccc32)[C@@H](C)C1 ZINC000474039332 1092841372 /nfs/dbraw/zinc/84/13/72/1092841372.db2.gz SUHTWKDLPUXYCF-HSQYWUDLSA-N 1 3 374.569 4.144 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CC(C)(C)c3cc(OC)ccc32)[C@@H](C)C1 ZINC000474039332 1092841376 /nfs/dbraw/zinc/84/13/76/1092841376.db2.gz SUHTWKDLPUXYCF-HSQYWUDLSA-N 1 3 374.569 4.144 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCC3=Cc4ccccc4OC3)cc2)C1 ZINC000521815214 1092934400 /nfs/dbraw/zinc/93/44/00/1092934400.db2.gz RAOIPZOMWYVENH-IBGZPJMESA-N 1 3 362.517 4.484 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCC3=Cc4ccccc4OC3)cc2)C1 ZINC000521815214 1092934404 /nfs/dbraw/zinc/93/44/04/1092934404.db2.gz RAOIPZOMWYVENH-IBGZPJMESA-N 1 3 362.517 4.484 20 0 FIADHO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC000512614122 1092993008 /nfs/dbraw/zinc/99/30/08/1092993008.db2.gz UXGIGPGNHMPXGI-PWRODBHTSA-N 1 3 369.578 4.193 20 0 FIADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512634892 1093051503 /nfs/dbraw/zinc/05/15/03/1093051503.db2.gz FSQFWOPKHYGXKU-XBYSBRQOSA-N 1 3 370.581 4.066 20 0 FIADHO O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512653311 1093079576 /nfs/dbraw/zinc/07/95/76/1093079576.db2.gz DOQNHDSYJJHESN-GNADVCDUSA-N 1 3 370.581 4.208 20 0 FIADHO CCC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccsc1 ZINC000191211459 1093116419 /nfs/dbraw/zinc/11/64/19/1093116419.db2.gz YOLVRZIDISFKOM-NRFANRHFSA-N 1 3 357.567 4.127 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(CO)CC(c4ccccc4)C3)CC2)C1 ZINC000433094078 1093241082 /nfs/dbraw/zinc/24/10/82/1093241082.db2.gz TXUPQOAJYVMKOG-VCERZCPPSA-N 1 3 370.581 4.175 20 0 FIADHO C[NH+]1CCC(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000113336324 1093282638 /nfs/dbraw/zinc/28/26/38/1093282638.db2.gz RHQPLGGENBQNSQ-UHFFFAOYSA-N 1 3 369.456 4.260 20 0 FIADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000389082512 1093347863 /nfs/dbraw/zinc/34/78/63/1093347863.db2.gz DMSRXISUTXJOCV-KNQAVFIVSA-N 1 3 352.522 4.215 20 0 FIADHO C[C@@H]1CC([NH2+][C@H]2COCc3ccccc32)C[C@@H](C)N1Cc1ccccc1 ZINC001168025873 1093443732 /nfs/dbraw/zinc/44/37/32/1093443732.db2.gz KDZWUWICMYUGNL-PNCHPQGNSA-N 1 3 350.506 4.289 20 0 FIADHO CC(C)C[C@H](CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149743 1093466091 /nfs/dbraw/zinc/46/60/91/1093466091.db2.gz JREQVDQYHCEHOT-AOHZBQACSA-N 1 3 371.613 4.307 20 0 FIADHO CC(C)C[C@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000474149743 1093466096 /nfs/dbraw/zinc/46/60/96/1093466096.db2.gz JREQVDQYHCEHOT-AOHZBQACSA-N 1 3 371.613 4.307 20 0 FIADHO Cc1ccc(NC(=O)[C@H](NCCCC[N@@H+](C)C2CC2)c2ccccc2)cc1 ZINC000419300262 1093503841 /nfs/dbraw/zinc/50/38/41/1093503841.db2.gz LQMBSGBJVIYHPY-JOCHJYFZSA-N 1 3 365.521 4.139 20 0 FIADHO Cc1ccc(NC(=O)[C@H](NCCCC[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000419300262 1093503845 /nfs/dbraw/zinc/50/38/45/1093503845.db2.gz LQMBSGBJVIYHPY-JOCHJYFZSA-N 1 3 365.521 4.139 20 0 FIADHO C[C@H](COc1ccccc1)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026946 1093507380 /nfs/dbraw/zinc/50/73/80/1093507380.db2.gz MMIFLQIAURYSOH-AABGKKOBSA-N 1 3 352.522 4.485 20 0 FIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000513545951 1094206462 /nfs/dbraw/zinc/20/64/62/1094206462.db2.gz UIFPMNYCMGPIBR-MMCLUGKTSA-N 1 3 362.945 4.101 20 0 FIADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513667394 1094262958 /nfs/dbraw/zinc/26/29/58/1094262958.db2.gz RGQUCOJHSLSMDZ-SJSRKZJXSA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000513667391 1094263167 /nfs/dbraw/zinc/26/31/67/1094263167.db2.gz RGQUCOJHSLSMDZ-LSDVVMKASA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000513667392 1094263321 /nfs/dbraw/zinc/26/33/21/1094263321.db2.gz RGQUCOJHSLSMDZ-QOXFPCGXSA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000500992778 1094408863 /nfs/dbraw/zinc/40/88/63/1094408863.db2.gz PKUWLVHVORXHED-QHCPKHFHSA-N 1 3 357.586 4.363 20 0 FIADHO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000500992778 1094408867 /nfs/dbraw/zinc/40/88/67/1094408867.db2.gz PKUWLVHVORXHED-QHCPKHFHSA-N 1 3 357.586 4.363 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000501006087 1094417116 /nfs/dbraw/zinc/41/71/16/1094417116.db2.gz FJOVEDQTCDCDMJ-JOCHJYFZSA-N 1 3 361.549 4.063 20 0 FIADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1OC ZINC000474793554 1094630819 /nfs/dbraw/zinc/63/08/19/1094630819.db2.gz DWCVPUAYNLHXEP-IRXDYDNUSA-N 1 3 360.542 4.192 20 0 FIADHO C[C@@H]1CC(N2CC[C@@H](F)C(F)(F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041851 1094634277 /nfs/dbraw/zinc/63/42/77/1094634277.db2.gz WMYXXUDTHZCIJV-GPMSIDNRSA-N 1 3 354.460 4.497 20 0 FIADHO Clc1ccccc1-c1csc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325577 1094889630 /nfs/dbraw/zinc/88/96/30/1094889630.db2.gz IVQSLXDWZDTNJP-CABCVRRESA-N 1 3 361.942 4.285 20 0 FIADHO CCCOc1ccc(Br)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000513741469 1095331865 /nfs/dbraw/zinc/33/18/65/1095331865.db2.gz NRDDGCQBFHHWBQ-UHFFFAOYSA-N 1 3 369.347 4.012 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CCSCC5)[C@@H]3C2)cc1 ZINC000421384111 1095586996 /nfs/dbraw/zinc/58/69/96/1095586996.db2.gz OWHBYWHNGQTVFA-BURNTYAHSA-N 1 3 356.579 4.020 20 0 FIADHO C[C@@H]1CC(N2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051055 1095771567 /nfs/dbraw/zinc/77/15/67/1095771567.db2.gz FRJBCFMRNTWGPJ-QWFCFKBJSA-N 1 3 372.553 4.092 20 0 FIADHO COc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc(OC)c1 ZINC000513760798 1095968452 /nfs/dbraw/zinc/96/84/52/1095968452.db2.gz LACIEBLKFGWCTG-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc(OC)c1 ZINC000513760798 1095968456 /nfs/dbraw/zinc/96/84/56/1095968456.db2.gz LACIEBLKFGWCTG-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422735381 1096466562 /nfs/dbraw/zinc/46/65/62/1096466562.db2.gz UPBVDRAGUMNLTP-KXBFYZLASA-N 1 3 370.368 4.065 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422725825 1096472400 /nfs/dbraw/zinc/47/24/00/1096472400.db2.gz YSINPVNBIHWADH-CYBMUJFWSA-N 1 3 351.416 4.151 20 0 FIADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCSc1ccccc1Br ZINC000422759089 1096474812 /nfs/dbraw/zinc/47/48/12/1096474812.db2.gz OVAJGZATPZWIQC-ZFWWWQNUSA-N 1 3 357.361 4.038 20 0 FIADHO COc1cccc(-c2ccc(CN[C@H](C)c3ccc(C[NH3+])nc3C)cc2)c1 ZINC000422793838 1096492148 /nfs/dbraw/zinc/49/21/48/1096492148.db2.gz SYINHLWZNGEVCO-MRXNPFEDSA-N 1 3 361.489 4.375 20 0 FIADHO Cc1cc(Br)cc(C)c1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422823156 1096499637 /nfs/dbraw/zinc/49/96/37/1096499637.db2.gz LIDNIUISEDWJFS-CYBMUJFWSA-N 1 3 362.315 4.079 20 0 FIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837274 1096502947 /nfs/dbraw/zinc/50/29/47/1096502947.db2.gz LTHQNIJTJFIRCT-RPRCKKEOSA-N 1 3 366.480 4.295 20 0 FIADHO CC(C)Oc1cccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422879455 1096510871 /nfs/dbraw/zinc/51/08/71/1096510871.db2.gz KNIWLESRRUCGLG-AMHTUMDSSA-N 1 3 366.505 4.380 20 0 FIADHO Clc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422906538 1096520163 /nfs/dbraw/zinc/52/01/63/1096520163.db2.gz KCWJCIDKPJHSJK-FDFHNCONSA-N 1 3 370.924 4.254 20 0 FIADHO COC[C@@H](CCC[NH3+])NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000422937181 1096529544 /nfs/dbraw/zinc/52/95/44/1096529544.db2.gz NSZQAIXJQSNJHG-GOSISDBHSA-N 1 3 367.320 4.426 20 0 FIADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422993768 1096542903 /nfs/dbraw/zinc/54/29/03/1096542903.db2.gz GDYXQTIXXUMNKC-VOQZNFBZSA-N 1 3 353.510 4.198 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000423014922 1096550005 /nfs/dbraw/zinc/55/00/05/1096550005.db2.gz QEKSVDYGXWRMDJ-NWDGAFQWSA-N 1 3 352.309 4.437 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000423014921 1096550259 /nfs/dbraw/zinc/55/02/59/1096550259.db2.gz QEKSVDYGXWRMDJ-NEPJUHHUSA-N 1 3 352.309 4.437 20 0 FIADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023097 1096551203 /nfs/dbraw/zinc/55/12/03/1096551203.db2.gz IXTGCFWORMLNGO-AVQSHMDHSA-N 1 3 373.903 4.206 20 0 FIADHO CN1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023097 1096551213 /nfs/dbraw/zinc/55/12/13/1096551213.db2.gz IXTGCFWORMLNGO-AVQSHMDHSA-N 1 3 373.903 4.206 20 0 FIADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422996185 1096553243 /nfs/dbraw/zinc/55/32/43/1096553243.db2.gz LFCSECNWNIJUSM-PIPMEXSNSA-N 1 3 353.510 4.198 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423067340 1096562007 /nfs/dbraw/zinc/56/20/07/1096562007.db2.gz ZBKMXSLROZGUFB-CQSZACIVSA-N 1 3 359.464 4.290 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423052816 1096565490 /nfs/dbraw/zinc/56/54/90/1096565490.db2.gz RHQUYRDAGGQMIG-OAHLLOKOSA-N 1 3 359.464 4.143 20 0 FIADHO CCCN(C)[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000423102713 1096567497 /nfs/dbraw/zinc/56/74/97/1096567497.db2.gz KKTRFOHYODPKFB-YCRPNKLZSA-N 1 3 374.960 4.236 20 0 FIADHO c1cc2cc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2s1 ZINC000423120918 1096578950 /nfs/dbraw/zinc/57/89/50/1096578950.db2.gz HVDUCMGSXFNWKE-WIYYLYMNSA-N 1 3 350.487 4.247 20 0 FIADHO FC(F)(F)[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122103 1096579175 /nfs/dbraw/zinc/57/91/75/1096579175.db2.gz KESWBENDVBKENL-UFYCRDLUSA-N 1 3 362.439 4.491 20 0 FIADHO CSc1ccc([C@@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112049 1096585836 /nfs/dbraw/zinc/58/58/36/1096585836.db2.gz XGZVPQVDHFNTRE-MFMILTCTSA-N 1 3 354.519 4.315 20 0 FIADHO CSc1cccc([C@H](NCC[C@H]2CC[NH2+]C2)c2cc(F)ccc2F)c1 ZINC000423247066 1096628819 /nfs/dbraw/zinc/62/88/19/1096628819.db2.gz KQMDBYUYLMXUKO-VLIAUNLRSA-N 1 3 362.489 4.365 20 0 FIADHO Brc1ccccc1[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423254521 1096631766 /nfs/dbraw/zinc/63/17/66/1096631766.db2.gz YHQICKSSCPSHFQ-HNAYVOBHSA-N 1 3 359.311 4.128 20 0 FIADHO COc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000423290674 1096636224 /nfs/dbraw/zinc/63/62/24/1096636224.db2.gz FAIZLYFBIKPLLU-QWHCGFSZSA-N 1 3 363.299 4.328 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423296624 1096644433 /nfs/dbraw/zinc/64/44/33/1096644433.db2.gz ZOXFTCOLFKJWPL-UONOGXRCSA-N 1 3 352.507 4.384 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423296622 1096644755 /nfs/dbraw/zinc/64/47/55/1096644755.db2.gz ZOXFTCOLFKJWPL-KBPBESRZSA-N 1 3 352.507 4.384 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCc3cc(N)ccc32)CC1 ZINC000423354098 1096654057 /nfs/dbraw/zinc/65/40/57/1096654057.db2.gz CMYVVCQSTDWWMF-UUOWRZLLSA-N 1 3 363.549 4.331 20 0 FIADHO Brc1cccc([C@H](NCC2=CC[NH2+]CC2)c2ccccc2)c1 ZINC000423356390 1096655058 /nfs/dbraw/zinc/65/50/58/1096655058.db2.gz QNBWUXGXHXFTPJ-LJQANCHMSA-N 1 3 357.295 4.048 20 0 FIADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000423508805 1096702136 /nfs/dbraw/zinc/70/21/36/1096702136.db2.gz OFBODZWTIFUPHH-OGWOLHLISA-N 1 3 359.311 4.256 20 0 FIADHO [NH3+]CCC[C@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)c1ccccc1 ZINC000423524476 1096712744 /nfs/dbraw/zinc/71/27/44/1096712744.db2.gz XBBBVLSNVCKOJZ-VXKWHMMOSA-N 1 3 360.505 4.320 20 0 FIADHO C[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccsc2)[C@@H]1c1cccs1 ZINC000436236206 1098860021 /nfs/dbraw/zinc/86/00/21/1098860021.db2.gz DSVLYZMKTLAZRX-IFXJQAMLSA-N 1 3 372.563 4.372 20 0 FIADHO C[N@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccsc2)[C@@H]1c1cccs1 ZINC000436236206 1098860034 /nfs/dbraw/zinc/86/00/34/1098860034.db2.gz DSVLYZMKTLAZRX-IFXJQAMLSA-N 1 3 372.563 4.372 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125940 1099644267 /nfs/dbraw/zinc/64/42/67/1099644267.db2.gz HAPKXCNRQPQYTP-RXVVDRJESA-N 1 3 352.526 4.012 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@@H](C)C1 ZINC000437125940 1099644274 /nfs/dbraw/zinc/64/42/74/1099644274.db2.gz HAPKXCNRQPQYTP-RXVVDRJESA-N 1 3 352.526 4.012 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693188 1099824576 /nfs/dbraw/zinc/82/45/76/1099824576.db2.gz AFNKZPUQHSWWJZ-WSTZPKSXSA-N 1 3 356.485 4.093 20 0 FIADHO COc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1Cl ZINC000162552498 1099841948 /nfs/dbraw/zinc/84/19/48/1099841948.db2.gz DWIWNOHYXPZIEG-HNNXBMFYSA-N 1 3 362.901 4.140 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702683 1099857478 /nfs/dbraw/zinc/85/74/78/1099857478.db2.gz WHKNJEUQZNNMDK-NQIIRXRSSA-N 1 3 367.537 4.259 20 0 FIADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708937 1099888386 /nfs/dbraw/zinc/88/83/86/1099888386.db2.gz FCXQGUBSRIBUKA-CEMLEFRQSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708937 1099888392 /nfs/dbraw/zinc/88/83/92/1099888392.db2.gz FCXQGUBSRIBUKA-CEMLEFRQSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(Cc1cccc(F)c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506059522 1099956706 /nfs/dbraw/zinc/95/67/06/1099956706.db2.gz IXQAPDMXWHKTML-UHFFFAOYSA-N 1 3 369.528 4.378 20 0 FIADHO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000517187774 1100160371 /nfs/dbraw/zinc/16/03/71/1100160371.db2.gz YKJJSRKGZYWFHP-KPLVRAHFSA-N 1 3 350.506 4.270 20 0 FIADHO CC[NH+](CC)CCCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437785057 1100191596 /nfs/dbraw/zinc/19/15/96/1100191596.db2.gz KRIAJSLVLPXBCA-UHFFFAOYSA-N 1 3 360.571 4.472 20 0 FIADHO CCCn1nc(C)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000536683159 1100192759 /nfs/dbraw/zinc/19/27/59/1100192759.db2.gz NXYKRWVWJRFYRB-UHFFFAOYSA-N 1 3 368.569 4.254 20 0 FIADHO CCCn1nc(C)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000536683159 1100192765 /nfs/dbraw/zinc/19/27/65/1100192765.db2.gz NXYKRWVWJRFYRB-UHFFFAOYSA-N 1 3 368.569 4.254 20 0 FIADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459437973 1100193379 /nfs/dbraw/zinc/19/33/79/1100193379.db2.gz ZTYHTPVGJWIEHD-MJUUVYJYSA-N 1 3 362.583 4.035 20 0 FIADHO CC(C)(C)C1CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000459583172 1100309121 /nfs/dbraw/zinc/30/91/21/1100309121.db2.gz FMZAEYSWYMYXRU-ORFBVSJDSA-N 1 3 370.581 4.330 20 0 FIADHO CC(C)Cn1ccnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000438833929 1100953597 /nfs/dbraw/zinc/95/35/97/1100953597.db2.gz YPOTWYVRNYPNIU-UHFFFAOYSA-N 1 3 354.542 4.072 20 0 FIADHO CC(C)Cn1ccnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438833929 1100953599 /nfs/dbraw/zinc/95/35/99/1100953599.db2.gz YPOTWYVRNYPNIU-UHFFFAOYSA-N 1 3 354.542 4.072 20 0 FIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000439143897 1101199137 /nfs/dbraw/zinc/19/91/37/1101199137.db2.gz TUZHBTKWYDFZNP-IOASZLSFSA-N 1 3 357.361 4.424 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000397997790 1101958452 /nfs/dbraw/zinc/95/84/52/1101958452.db2.gz CNZQWDMXYACBMO-LVCYWYKZSA-N 1 3 368.521 4.265 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000397997790 1101958457 /nfs/dbraw/zinc/95/84/57/1101958457.db2.gz CNZQWDMXYACBMO-LVCYWYKZSA-N 1 3 368.521 4.265 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC000061070332 1102256707 /nfs/dbraw/zinc/25/67/07/1102256707.db2.gz WVCQFOMYZGBTGP-UHFFFAOYSA-N 1 3 365.565 4.039 20 0 FIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+](C)C)cc1)CCCS2 ZINC000187706264 1102301365 /nfs/dbraw/zinc/30/13/65/1102301365.db2.gz UNPOEVGASAGOFD-FQEVSTJZSA-N 1 3 356.535 4.474 20 0 FIADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000040622737 1102344347 /nfs/dbraw/zinc/34/43/47/1102344347.db2.gz HJIKOJYBOLZTOF-NXVRBGIVSA-N 1 3 351.332 4.015 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532448476 1102345914 /nfs/dbraw/zinc/34/59/14/1102345914.db2.gz ZOVMGRKWOGTBQU-QGZVFWFLSA-N 1 3 365.521 4.262 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532448476 1102345927 /nfs/dbraw/zinc/34/59/27/1102345927.db2.gz ZOVMGRKWOGTBQU-QGZVFWFLSA-N 1 3 365.521 4.262 20 0 FIADHO C[C@H](N)c1ncc(-c2ccccc2)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971200 1102424482 /nfs/dbraw/zinc/42/44/82/1102424482.db2.gz SFVJFYBKMXTMLS-LATSOQNDSA-N 1 3 350.510 4.148 20 0 FIADHO C[C@H](N)c1ncc(-c2ccccc2)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971200 1102424491 /nfs/dbraw/zinc/42/44/91/1102424491.db2.gz SFVJFYBKMXTMLS-LATSOQNDSA-N 1 3 350.510 4.148 20 0 FIADHO CCc1nocc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000550140786 1102597082 /nfs/dbraw/zinc/59/70/82/1102597082.db2.gz ZTSNSNUOIJWUPD-UHFFFAOYSA-N 1 3 355.526 4.062 20 0 FIADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881682 1102651876 /nfs/dbraw/zinc/65/18/76/1102651876.db2.gz BDYZAMNLLFVBIF-NZQKXSOJSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881682 1102651883 /nfs/dbraw/zinc/65/18/83/1102651883.db2.gz BDYZAMNLLFVBIF-NZQKXSOJSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881682 1102651888 /nfs/dbraw/zinc/65/18/88/1102651888.db2.gz BDYZAMNLLFVBIF-NZQKXSOJSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550885782 1102657090 /nfs/dbraw/zinc/65/70/90/1102657090.db2.gz JIWFAVASLGRRDV-PABCKOPISA-N 1 3 370.581 4.330 20 0 FIADHO COc1ccc2[nH]cc(C3=CC[N@H+](CC[C@H]4CCCCN4C)CC3)c2c1 ZINC000532654946 1102732954 /nfs/dbraw/zinc/73/29/54/1102732954.db2.gz IAECPFHLXJLRRX-GOSISDBHSA-N 1 3 353.510 4.140 20 0 FIADHO COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@H]4CCCCN4C)CC3)c2c1 ZINC000532654946 1102732967 /nfs/dbraw/zinc/73/29/67/1102732967.db2.gz IAECPFHLXJLRRX-GOSISDBHSA-N 1 3 353.510 4.140 20 0 FIADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccc2OC)cc1 ZINC000537688212 1102858169 /nfs/dbraw/zinc/85/81/69/1102858169.db2.gz NYUYCVSSIXSXOQ-RTWAWAEBSA-N 1 3 350.506 4.421 20 0 FIADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccc2OC)cc1 ZINC000537688212 1102858176 /nfs/dbraw/zinc/85/81/76/1102858176.db2.gz NYUYCVSSIXSXOQ-RTWAWAEBSA-N 1 3 350.506 4.421 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000506864501 1102917212 /nfs/dbraw/zinc/91/72/12/1102917212.db2.gz BAEKWVPUDSCGEO-UHFFFAOYSA-N 1 3 370.484 4.241 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000506864501 1102917214 /nfs/dbraw/zinc/91/72/14/1102917214.db2.gz BAEKWVPUDSCGEO-UHFFFAOYSA-N 1 3 370.484 4.241 20 0 FIADHO CCOc1cc(CN2CCC(C[NH+](CC)CC)CC2)ccc1OC(F)F ZINC000506910154 1102947979 /nfs/dbraw/zinc/94/79/79/1102947979.db2.gz RWBJCQWISDADIJ-UHFFFAOYSA-N 1 3 370.484 4.241 20 0 FIADHO C[NH+](C)CC1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000506943629 1102963728 /nfs/dbraw/zinc/96/37/28/1102963728.db2.gz IRVIUAPCGLICPU-UHFFFAOYSA-N 1 3 355.507 4.330 20 0 FIADHO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265357 1103024787 /nfs/dbraw/zinc/02/47/87/1103024787.db2.gz UBCBRZOUMSWCAD-OFNKIYASSA-N 1 3 370.581 4.474 20 0 FIADHO CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)ccc2O1 ZINC000729679682 1103043073 /nfs/dbraw/zinc/04/30/73/1103043073.db2.gz OGLYSBWRZSXPRJ-NRFANRHFSA-N 1 3 364.533 4.054 20 0 FIADHO COc1cccc(CN(C)[C@H]2CCC[N@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827666 1103243543 /nfs/dbraw/zinc/24/35/43/1103243543.db2.gz PWTUMCGJXCXGJD-NRFANRHFSA-N 1 3 368.521 4.190 20 0 FIADHO COc1cccc(CN(C)[C@H]2CCC[N@@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000532827666 1103243552 /nfs/dbraw/zinc/24/35/52/1103243552.db2.gz PWTUMCGJXCXGJD-NRFANRHFSA-N 1 3 368.521 4.190 20 0 FIADHO CSc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000551570818 1103376719 /nfs/dbraw/zinc/37/67/19/1103376719.db2.gz YVIZGTWPOMXBPJ-UHFFFAOYSA-N 1 3 356.535 4.171 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCc4ccc5ccccc5n4)[C@@H]3C2)cc1 ZINC000507519017 1103463207 /nfs/dbraw/zinc/46/32/07/1103463207.db2.gz GQZBXBDWPMVYMT-PWWKTKHKSA-N 1 3 371.528 4.278 20 0 FIADHO CCCCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000551790571 1103663194 /nfs/dbraw/zinc/66/31/94/1103663194.db2.gz CQJVYHWXZICHQU-CDNPAEQRSA-N 1 3 374.569 4.284 20 0 FIADHO COc1ccccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000520227165 1104199075 /nfs/dbraw/zinc/19/90/75/1104199075.db2.gz IZFVCDOMDVBWHH-UHFFFAOYSA-N 1 3 358.913 4.350 20 0 FIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)C1 ZINC000537963317 1104448988 /nfs/dbraw/zinc/44/89/88/1104448988.db2.gz HTBSKINLGKUBDO-MISYRCLQSA-N 1 3 366.615 4.064 20 0 FIADHO C[C@@H]1CC(N[C@@H]2COc3ccccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005192 1105076387 /nfs/dbraw/zinc/07/63/87/1105076387.db2.gz HUDSRRRUDKSMTR-HMFYCAOWSA-N 1 3 350.506 4.021 20 0 FIADHO Cc1cccn2c(C[NH2+]C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)cnc12 ZINC001168007427 1105129823 /nfs/dbraw/zinc/12/98/23/1105129823.db2.gz AQPHGOBIFBJRPS-OALUTQOASA-N 1 3 362.521 4.174 20 0 FIADHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507806308 1105153464 /nfs/dbraw/zinc/15/34/64/1105153464.db2.gz RXOLJQBOIRMKEZ-UHFFFAOYSA-N 1 3 356.485 4.035 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152468348 1107775209 /nfs/dbraw/zinc/77/52/09/1107775209.db2.gz YSDKGPANRGLMSL-KSSFIOAISA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152468348 1107775226 /nfs/dbraw/zinc/77/52/26/1107775226.db2.gz YSDKGPANRGLMSL-KSSFIOAISA-N 1 3 371.525 4.401 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1 ZINC000179106697 1107873497 /nfs/dbraw/zinc/87/34/97/1107873497.db2.gz GDNBFHWUXCPSOH-MRXNPFEDSA-N 1 3 361.917 4.306 20 0 FIADHO CCN1CC[C@H]([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)[C@H](C)C1 ZINC000531683157 1108069133 /nfs/dbraw/zinc/06/91/33/1108069133.db2.gz XHNADAZFYWOTJY-QUCCMNQESA-N 1 3 353.510 4.311 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000532210185 1108712963 /nfs/dbraw/zinc/71/29/63/1108712963.db2.gz WHMHEZPZUWNPKY-QGZVFWFLSA-N 1 3 372.557 4.085 20 0 FIADHO FC(F)(F)c1cccc(OCCCCN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000524609607 1109096366 /nfs/dbraw/zinc/09/63/66/1109096366.db2.gz HGBPDISHTXRMLB-KRWDZBQOSA-N 1 3 370.459 4.282 20 0 FIADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428463722 1109407215 /nfs/dbraw/zinc/40/72/15/1109407215.db2.gz PTQNLNLZXMGBPV-WSWWRLHASA-N 1 3 358.570 4.064 20 0 FIADHO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525781950 1109516740 /nfs/dbraw/zinc/51/67/40/1109516740.db2.gz VAIXLTUIMXHVJE-LJQANCHMSA-N 1 3 360.448 4.242 20 0 FIADHO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525781950 1109516744 /nfs/dbraw/zinc/51/67/44/1109516744.db2.gz VAIXLTUIMXHVJE-LJQANCHMSA-N 1 3 360.448 4.242 20 0 FIADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](c2ccsc2)N(C)C)CC1 ZINC000449070799 1109972378 /nfs/dbraw/zinc/97/23/78/1109972378.db2.gz LKRNDJRGAHGQOB-XMSQKQJNSA-N 1 3 371.594 4.036 20 0 FIADHO COCCC[NH+]1CCC(NCc2ccccc2-c2ccccc2C)CC1 ZINC000449110898 1109982957 /nfs/dbraw/zinc/98/29/57/1109982957.db2.gz HLSREPUCSRBJRW-UHFFFAOYSA-N 1 3 352.522 4.253 20 0 FIADHO CCSc1cc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)ccn1 ZINC000449261325 1110018185 /nfs/dbraw/zinc/01/81/85/1110018185.db2.gz ZQIARVVOPFAVKN-GOSISDBHSA-N 1 3 369.578 4.379 20 0 FIADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342830 1110034565 /nfs/dbraw/zinc/03/45/65/1110034565.db2.gz FPURWCPKRWRPQF-FCHUYYIVSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@H](C)O1 ZINC000461385686 1111192845 /nfs/dbraw/zinc/19/28/45/1111192845.db2.gz ICFMQBMQMVQKHP-CALCHBBNSA-N 1 3 366.496 4.336 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(-c2ccccc2)c1 ZINC000539062264 1111408140 /nfs/dbraw/zinc/40/81/40/1111408140.db2.gz VQBMQUPHQBNXLY-NTUVXCKYSA-N 1 3 364.533 4.382 20 0 FIADHO CC[NH+]1CCC(N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000462032790 1111467378 /nfs/dbraw/zinc/46/73/78/1111467378.db2.gz SLGCPKXKNYZTSE-JOCHJYFZSA-N 1 3 356.485 4.192 20 0 FIADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000552087533 1111569740 /nfs/dbraw/zinc/56/97/40/1111569740.db2.gz KNJGIVWMHCWKAF-QPTUXGOLSA-N 1 3 363.549 4.213 20 0 FIADHO Cc1ccc(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)c(Cl)c1 ZINC000477918992 1111609246 /nfs/dbraw/zinc/60/92/46/1111609246.db2.gz QRXUZLRZFFRGDD-MRXNPFEDSA-N 1 3 365.949 4.077 20 0 FIADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(Cl)c1 ZINC000477918992 1111609248 /nfs/dbraw/zinc/60/92/48/1111609248.db2.gz QRXUZLRZFFRGDD-MRXNPFEDSA-N 1 3 365.949 4.077 20 0 FIADHO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552277189 1111655938 /nfs/dbraw/zinc/65/59/38/1111655938.db2.gz QPUTULRWORPCRM-YUMYIRISSA-N 1 3 356.554 4.224 20 0 FIADHO Fc1cc(Br)ccc1[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000479368078 1112002198 /nfs/dbraw/zinc/00/21/98/1112002198.db2.gz XSPXOXKUZUCUEO-KZULUSFZSA-N 1 3 367.306 4.113 20 0 FIADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2)CC1 ZINC000479581804 1112079496 /nfs/dbraw/zinc/07/94/96/1112079496.db2.gz VAWJTWJMZLDLPU-QFIPXVFZSA-N 1 3 370.924 4.074 20 0 FIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635487 1112523819 /nfs/dbraw/zinc/52/38/19/1112523819.db2.gz AIJMLZTYJKSCJK-ROUUACIJSA-N 1 3 366.505 4.498 20 0 FIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000480635487 1112523822 /nfs/dbraw/zinc/52/38/22/1112523822.db2.gz AIJMLZTYJKSCJK-ROUUACIJSA-N 1 3 366.505 4.498 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000480657195 1112533081 /nfs/dbraw/zinc/53/30/81/1112533081.db2.gz DNXPZIPSHIGRGC-LJQANCHMSA-N 1 3 366.553 4.202 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000480657195 1112533083 /nfs/dbraw/zinc/53/30/83/1112533083.db2.gz DNXPZIPSHIGRGC-LJQANCHMSA-N 1 3 366.553 4.202 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)CC1 ZINC000480720861 1112562534 /nfs/dbraw/zinc/56/25/34/1112562534.db2.gz LJZIZTSMPWMALQ-NRFANRHFSA-N 1 3 369.578 4.053 20 0 FIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162867107 1112842824 /nfs/dbraw/zinc/84/28/24/1112842824.db2.gz VQXRRNULMZRFQQ-XHSDSOJGSA-N 1 3 367.603 4.289 20 0 FIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CCCO2 ZINC000481327491 1112901321 /nfs/dbraw/zinc/90/13/21/1112901321.db2.gz INEYAQIJBLOSJP-QFIPXVFZSA-N 1 3 368.521 4.247 20 0 FIADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732137 1113058775 /nfs/dbraw/zinc/05/87/75/1113058775.db2.gz DWZRYNCQVUZFRU-IAGOWNOFSA-N 1 3 355.295 4.113 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000482343613 1113229838 /nfs/dbraw/zinc/22/98/38/1113229838.db2.gz LIAWHCXJUMKDQX-KBXCAEBGSA-N 1 3 351.332 4.146 20 0 FIADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451277 1113263414 /nfs/dbraw/zinc/26/34/14/1113263414.db2.gz RXCFWQDHBBSMNC-OFNKIYASSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451277 1113263417 /nfs/dbraw/zinc/26/34/17/1113263417.db2.gz RXCFWQDHBBSMNC-OFNKIYASSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451277 1113263421 /nfs/dbraw/zinc/26/34/21/1113263421.db2.gz RXCFWQDHBBSMNC-OFNKIYASSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000482519353 1113282752 /nfs/dbraw/zinc/28/27/52/1113282752.db2.gz NHNAGLWEJVAHSI-KXBFYZLASA-N 1 3 372.384 4.308 20 0 FIADHO C[C@H](NCc1cc2ccc(F)cc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486708703 1113627101 /nfs/dbraw/zinc/62/71/01/1113627101.db2.gz KDCLBLUVLKJJPN-LPHOPBHVSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H](NCc1cc2ccc(F)cc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708703 1113627105 /nfs/dbraw/zinc/62/71/05/1113627105.db2.gz KDCLBLUVLKJJPN-LPHOPBHVSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486708703 1113627108 /nfs/dbraw/zinc/62/71/08/1113627108.db2.gz KDCLBLUVLKJJPN-LPHOPBHVSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cc4ccc(F)cc4[nH]3)CC2)C[C@@H](C)O1 ZINC000488349225 1113913199 /nfs/dbraw/zinc/91/31/99/1113913199.db2.gz BXHRHWCMKXUNHX-IAGOWNOFSA-N 1 3 373.516 4.018 20 0 FIADHO COc1c(C)cnc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000491028632 1114363394 /nfs/dbraw/zinc/36/33/94/1114363394.db2.gz OCLZQKFDLDKNGF-UHFFFAOYSA-N 1 3 367.537 4.051 20 0 FIADHO COc1c(C)cnc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000491028632 1114363398 /nfs/dbraw/zinc/36/33/98/1114363398.db2.gz OCLZQKFDLDKNGF-UHFFFAOYSA-N 1 3 367.537 4.051 20 0 FIADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588708658 1114601486 /nfs/dbraw/zinc/60/14/86/1114601486.db2.gz BLTINWDAFLDWIS-HOTGVXAUSA-N 1 3 370.459 4.027 20 0 FIADHO C[C@@H](c1ccccc1Cl)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710755 1114602012 /nfs/dbraw/zinc/60/20/12/1114602012.db2.gz LARARRYYLMKYRW-BBWFWOEESA-N 1 3 350.934 4.222 20 0 FIADHO C[C@@H](c1ccccc1Cl)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710755 1114602016 /nfs/dbraw/zinc/60/20/16/1114602016.db2.gz LARARRYYLMKYRW-BBWFWOEESA-N 1 3 350.934 4.222 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000589836150 1114847102 /nfs/dbraw/zinc/84/71/02/1114847102.db2.gz HLERECGZZDPKQJ-HNNXBMFYSA-N 1 3 369.347 4.059 20 0 FIADHO COc1ccc(Br)cc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000589836150 1114847106 /nfs/dbraw/zinc/84/71/06/1114847106.db2.gz HLERECGZZDPKQJ-HNNXBMFYSA-N 1 3 369.347 4.059 20 0 FIADHO COc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000539839585 1116386693 /nfs/dbraw/zinc/38/66/93/1116386693.db2.gz SHDQZLOVNSAPFW-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000539839585 1116386695 /nfs/dbraw/zinc/38/66/95/1116386695.db2.gz SHDQZLOVNSAPFW-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2c(O)cccc21 ZINC000462810206 1117779983 /nfs/dbraw/zinc/77/99/83/1117779983.db2.gz ZNMIXYFXVAPOTJ-ZPMCFJSWSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2c(O)cccc21 ZINC000462810206 1117779986 /nfs/dbraw/zinc/77/99/86/1117779986.db2.gz ZNMIXYFXVAPOTJ-ZPMCFJSWSA-N 1 3 350.506 4.270 20 0 FIADHO CC1CC[NH+](CCC[C@H](NCC2=CCCOC2)c2ccc(F)cc2)CC1 ZINC000462803999 1117786427 /nfs/dbraw/zinc/78/64/27/1117786427.db2.gz BVBYDKXYNWGOFR-QFIPXVFZSA-N 1 3 360.517 4.315 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000540170948 1117912209 /nfs/dbraw/zinc/91/22/09/1117912209.db2.gz NGLJQSCSCOHKIM-OWCLPIDISA-N 1 3 374.447 4.125 20 0 FIADHO COc1ccc2cc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)ccc2c1 ZINC000540171555 1117912739 /nfs/dbraw/zinc/91/27/39/1117912739.db2.gz RJOFTMNOKVAVGV-QRVBRYPASA-N 1 3 370.537 4.388 20 0 FIADHO CC[NH+](CC)C[C@@H]1CCN(CCCCCn2c(C)nc3ccccc32)C1 ZINC000463096080 1117963983 /nfs/dbraw/zinc/96/39/83/1117963983.db2.gz GPQJYQDSMDRRMS-FQEVSTJZSA-N 1 3 356.558 4.179 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CCN1Cc1ccccc1 ZINC000463083729 1117965491 /nfs/dbraw/zinc/96/54/91/1117965491.db2.gz LTTKEFGNQBZSRI-LEOXJPRUSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccc(F)cc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463083729 1117965494 /nfs/dbraw/zinc/96/54/94/1117965494.db2.gz LTTKEFGNQBZSRI-LEOXJPRUSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccc(F)cc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463083729 1117965496 /nfs/dbraw/zinc/96/54/96/1117965496.db2.gz LTTKEFGNQBZSRI-LEOXJPRUSA-N 1 3 369.528 4.071 20 0 FIADHO Fc1ccc(CC[NH+]2CCC(N[C@@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000463114396 1117970120 /nfs/dbraw/zinc/97/01/20/1117970120.db2.gz SJFXPKOTOYQYKN-JOCHJYFZSA-N 1 3 356.460 4.249 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463132484 1117983405 /nfs/dbraw/zinc/98/34/05/1117983405.db2.gz PFEYZVWFMJUXIX-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463132484 1117983406 /nfs/dbraw/zinc/98/34/06/1117983406.db2.gz PFEYZVWFMJUXIX-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000540354098 1117998358 /nfs/dbraw/zinc/99/83/58/1117998358.db2.gz LETHXBGDORHPLX-NQIIRXRSSA-N 1 3 353.510 4.186 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251292 1118060592 /nfs/dbraw/zinc/06/05/92/1118060592.db2.gz CZEDDWIOJVOGTB-AJSBUHFISA-N 1 3 352.522 4.407 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251292 1118060594 /nfs/dbraw/zinc/06/05/94/1118060594.db2.gz CZEDDWIOJVOGTB-AJSBUHFISA-N 1 3 352.522 4.407 20 0 FIADHO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540475940 1118076736 /nfs/dbraw/zinc/07/67/36/1118076736.db2.gz WOHNZSQBQKPVMS-LPHOPBHVSA-N 1 3 356.535 4.257 20 0 FIADHO Cc1ccccc1CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540495260 1118092028 /nfs/dbraw/zinc/09/20/28/1118092028.db2.gz SIZMGKVXARUZRG-NRFANRHFSA-N 1 3 350.506 4.115 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540992652 1118341817 /nfs/dbraw/zinc/34/18/17/1118341817.db2.gz YIULYTOEUVHGRV-YLJYHZDGSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540992652 1118341822 /nfs/dbraw/zinc/34/18/22/1118341822.db2.gz YIULYTOEUVHGRV-YLJYHZDGSA-N 1 3 370.562 4.216 20 0 FIADHO Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000541738766 1118627538 /nfs/dbraw/zinc/62/75/38/1118627538.db2.gz OYIGZMXYUSVTNM-UMSONDCASA-N 1 3 369.578 4.445 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442500 1119040884 /nfs/dbraw/zinc/04/08/84/1119040884.db2.gz FGIXZWGISZVWON-XPIZARPCSA-N 1 3 374.550 4.499 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000173442500 1119040887 /nfs/dbraw/zinc/04/08/87/1119040887.db2.gz FGIXZWGISZVWON-XPIZARPCSA-N 1 3 374.550 4.499 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000311771336 1119388754 /nfs/dbraw/zinc/38/87/54/1119388754.db2.gz GOFACDYYTCHQQF-DHJUGAMNSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771336 1119388757 /nfs/dbraw/zinc/38/87/57/1119388757.db2.gz GOFACDYYTCHQQF-DHJUGAMNSA-N 1 3 350.506 4.183 20 0 FIADHO CCN(CC)[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000312097298 1119400134 /nfs/dbraw/zinc/40/01/34/1119400134.db2.gz CLCASANTGZJMEO-DEOSSOPVSA-N 1 3 365.565 4.324 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCCC5)C4)[C@@H]3C2)cc1 ZINC000183154132 1119566934 /nfs/dbraw/zinc/56/69/34/1119566934.db2.gz FSSFORPZGSYMIX-AFXVXQJMSA-N 1 3 368.565 4.369 20 0 FIADHO CCSc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000185623514 1119677030 /nfs/dbraw/zinc/67/70/30/1119677030.db2.gz DTBZMTNJSQMWCX-NRFANRHFSA-N 1 3 370.562 4.045 20 0 FIADHO CCSc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000185623514 1119677032 /nfs/dbraw/zinc/67/70/32/1119677032.db2.gz DTBZMTNJSQMWCX-NRFANRHFSA-N 1 3 370.562 4.045 20 0 FIADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001168467179 1119996351 /nfs/dbraw/zinc/99/63/51/1119996351.db2.gz GRCRQBAFXJOISV-KRWDZBQOSA-N 1 3 358.476 4.398 20 0 FIADHO CCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000494921801 1120379982 /nfs/dbraw/zinc/37/99/82/1120379982.db2.gz HTJUJMVGVYREGL-HXUWFJFHSA-N 1 3 356.485 4.178 20 0 FIADHO CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000494921801 1120379986 /nfs/dbraw/zinc/37/99/86/1120379986.db2.gz HTJUJMVGVYREGL-HXUWFJFHSA-N 1 3 356.485 4.178 20 0 FIADHO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000542533265 1120431077 /nfs/dbraw/zinc/43/10/77/1120431077.db2.gz KXLAJIIEBCQYKG-DOTOQJQBSA-N 1 3 370.459 4.370 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495380980 1120767933 /nfs/dbraw/zinc/76/79/33/1120767933.db2.gz TXVRJVQADCGNPC-JLMWRMLUSA-N 1 3 350.506 4.183 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495380980 1120767936 /nfs/dbraw/zinc/76/79/36/1120767936.db2.gz TXVRJVQADCGNPC-JLMWRMLUSA-N 1 3 350.506 4.183 20 0 FIADHO CSc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397664192 1121272186 /nfs/dbraw/zinc/27/21/86/1121272186.db2.gz FFFJXXSOHMSICW-GOSISDBHSA-N 1 3 370.562 4.086 20 0 FIADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000670272340 1121298923 /nfs/dbraw/zinc/29/89/23/1121298923.db2.gz VIQWGKNOIHFAJF-GOSISDBHSA-N 1 3 370.459 4.182 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671744369 1121657746 /nfs/dbraw/zinc/65/77/46/1121657746.db2.gz XREYRTZERAFFRV-HNNXBMFYSA-N 1 3 353.466 4.224 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000671744369 1121657750 /nfs/dbraw/zinc/65/77/50/1121657750.db2.gz XREYRTZERAFFRV-HNNXBMFYSA-N 1 3 353.466 4.224 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371278 1121688894 /nfs/dbraw/zinc/68/88/94/1121688894.db2.gz CJIXSNUJQPZDRR-QUCCMNQESA-N 1 3 350.506 4.401 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371278 1121688899 /nfs/dbraw/zinc/68/88/99/1121688899.db2.gz CJIXSNUJQPZDRR-QUCCMNQESA-N 1 3 350.506 4.401 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371037 1121689158 /nfs/dbraw/zinc/68/91/58/1121689158.db2.gz CJIXSNUJQPZDRR-ICSRJNTNSA-N 1 3 350.506 4.401 20 0 FIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000124371037 1121689162 /nfs/dbraw/zinc/68/91/62/1121689162.db2.gz CJIXSNUJQPZDRR-ICSRJNTNSA-N 1 3 350.506 4.401 20 0 FIADHO COc1ccc([C@H]2C[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCO2)cc1 ZINC001168616003 1122100678 /nfs/dbraw/zinc/10/06/78/1122100678.db2.gz QEERKWQTBIGAJH-FYYLOGMGSA-N 1 3 372.553 4.160 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCC[C@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233533 1122750400 /nfs/dbraw/zinc/75/04/00/1122750400.db2.gz QJHWRGCRBSRDQZ-RJGXRXQPSA-N 1 3 368.565 4.084 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000556605597 1122996781 /nfs/dbraw/zinc/99/67/81/1122996781.db2.gz BWMLIGVFGNHEPC-QGZVFWFLSA-N 1 3 366.347 4.148 20 0 FIADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499138057 1123279480 /nfs/dbraw/zinc/27/94/80/1123279480.db2.gz BSNZRCCHNDHVIG-DKUWSORSSA-N 1 3 350.506 4.371 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000134177122 1123600465 /nfs/dbraw/zinc/60/04/65/1123600465.db2.gz VQCOUYJDSCJEHA-UHFFFAOYSA-N 1 3 358.555 4.149 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000134177122 1123600469 /nfs/dbraw/zinc/60/04/69/1123600469.db2.gz VQCOUYJDSCJEHA-UHFFFAOYSA-N 1 3 358.555 4.149 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263368987 1124029831 /nfs/dbraw/zinc/02/98/31/1124029831.db2.gz XJBCYXNBYOJVKQ-UTKZUKDTSA-N 1 3 351.494 4.090 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263368987 1124029836 /nfs/dbraw/zinc/02/98/36/1124029836.db2.gz XJBCYXNBYOJVKQ-UTKZUKDTSA-N 1 3 351.494 4.090 20 0 FIADHO CN(C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccs1 ZINC000245754474 1124241669 /nfs/dbraw/zinc/24/16/69/1124241669.db2.gz UPDBWZHKOGZTQE-BURNTYAHSA-N 1 3 369.578 4.136 20 0 FIADHO CN(C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000245754474 1124241674 /nfs/dbraw/zinc/24/16/74/1124241674.db2.gz UPDBWZHKOGZTQE-BURNTYAHSA-N 1 3 369.578 4.136 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000542775315 1124252464 /nfs/dbraw/zinc/25/24/64/1124252464.db2.gz UCDUUKOXBMAMIZ-VMSMKEMKSA-N 1 3 363.549 4.144 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542775315 1124252471 /nfs/dbraw/zinc/25/24/71/1124252471.db2.gz UCDUUKOXBMAMIZ-VMSMKEMKSA-N 1 3 363.549 4.144 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000765881158 1124326455 /nfs/dbraw/zinc/32/64/55/1124326455.db2.gz NMYMKODQZMAEFV-BTZRARBUSA-N 1 3 374.528 4.373 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000765881158 1124326460 /nfs/dbraw/zinc/32/64/60/1124326460.db2.gz NMYMKODQZMAEFV-BTZRARBUSA-N 1 3 374.528 4.373 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1CCCCCC1 ZINC000303718026 1124460270 /nfs/dbraw/zinc/46/02/70/1124460270.db2.gz RCGSDDWOSPZGRU-LJQANCHMSA-N 1 3 357.542 4.122 20 0 FIADHO CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000247018926 1124582409 /nfs/dbraw/zinc/58/24/09/1124582409.db2.gz LRXCPYHSDMVZSG-HKUYNNGSSA-N 1 3 369.509 4.235 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccnc(Cl)c1 ZINC000765922252 1124611834 /nfs/dbraw/zinc/61/18/34/1124611834.db2.gz WYJBGKYEEMIFHK-INIZCTEOSA-N 1 3 359.901 4.060 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168098 1124747276 /nfs/dbraw/zinc/74/72/76/1124747276.db2.gz UEIYTYBLMQVZPX-HZUJVAHNSA-N 1 3 372.534 4.253 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168098 1124747279 /nfs/dbraw/zinc/74/72/79/1124747279.db2.gz UEIYTYBLMQVZPX-HZUJVAHNSA-N 1 3 372.534 4.253 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248395278 1124759798 /nfs/dbraw/zinc/75/97/98/1124759798.db2.gz GEMFAJHZLWHZTL-NSHGMRRFSA-N 1 3 352.526 4.176 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248395278 1124759805 /nfs/dbraw/zinc/75/98/05/1124759805.db2.gz GEMFAJHZLWHZTL-NSHGMRRFSA-N 1 3 352.526 4.176 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)s1 ZINC000248464589 1124774345 /nfs/dbraw/zinc/77/43/45/1124774345.db2.gz ZMGYSZQSQMRHEL-UZLBHIALSA-N 1 3 358.551 4.172 20 0 FIADHO CSc1ccccc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000249579460 1124866447 /nfs/dbraw/zinc/86/64/47/1124866447.db2.gz NBECPCHCXZEEEX-PXNSSMCTSA-N 1 3 370.562 4.216 20 0 FIADHO CSc1ccccc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249579460 1124866456 /nfs/dbraw/zinc/86/64/56/1124866456.db2.gz NBECPCHCXZEEEX-PXNSSMCTSA-N 1 3 370.562 4.216 20 0 FIADHO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000089703438 1124929375 /nfs/dbraw/zinc/92/93/75/1124929375.db2.gz UVBAYVYRNFTYPJ-YJYMSZOUSA-N 1 3 369.336 4.071 20 0 FIADHO COc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1Cl ZINC000090468922 1124998170 /nfs/dbraw/zinc/99/81/70/1124998170.db2.gz XDHXRCLNGQKWLH-HNNXBMFYSA-N 1 3 362.901 4.140 20 0 FIADHO COc1ccccc1[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000091343536 1125067402 /nfs/dbraw/zinc/06/74/02/1125067402.db2.gz HWIHFHSBTVYVNV-FDDCHVKYSA-N 1 3 372.553 4.017 20 0 FIADHO C[N@@H+]1CCC[C@H](CNCc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165437 568593833 /nfs/dbraw/zinc/59/38/33/568593833.db2.gz BRFZNWCVWXGTGI-IEBWSBKVSA-N 1 3 363.427 4.273 20 0 FIADHO C[N@H+]1CCC[C@H](CNCc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165437 568593834 /nfs/dbraw/zinc/59/38/34/568593834.db2.gz BRFZNWCVWXGTGI-IEBWSBKVSA-N 1 3 363.427 4.273 20 0 FIADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1CN1CCCCC1 ZINC000183130438 1125754635 /nfs/dbraw/zinc/75/46/35/1125754635.db2.gz NTMSXBFVVKSFCK-ZWKOTPCHSA-N 1 3 360.542 4.147 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1CN1CCCCC1 ZINC000183130418 1125754894 /nfs/dbraw/zinc/75/48/94/1125754894.db2.gz NTMSXBFVVKSFCK-ROUUACIJSA-N 1 3 360.542 4.147 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000655820805 1081232188 /nfs/dbraw/zinc/23/21/88/1081232188.db2.gz LYBTVNYICCQRNX-DLBZAZTESA-N 1 3 368.443 4.223 20 0 FIADHO FC(F)(F)Oc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000655820805 1081232190 /nfs/dbraw/zinc/23/21/90/1081232190.db2.gz LYBTVNYICCQRNX-DLBZAZTESA-N 1 3 368.443 4.223 20 0 FIADHO CCSc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000547979459 1081315404 /nfs/dbraw/zinc/31/54/04/1081315404.db2.gz QYUKPSSLLQGEJC-FXAWDEMLSA-N 1 3 355.551 4.194 20 0 FIADHO C[C@H](O)[C@@H]1CCCCN1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337095 1081469964 /nfs/dbraw/zinc/46/99/64/1081469964.db2.gz GZGCQRXXCLRXHP-ZTCOLXNVSA-N 1 3 366.549 4.138 20 0 FIADHO C[C@H](O)[C@@H]1CCCCN1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167337095 1081469968 /nfs/dbraw/zinc/46/99/68/1081469968.db2.gz GZGCQRXXCLRXHP-ZTCOLXNVSA-N 1 3 366.549 4.138 20 0 FIADHO C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353578 1081876618 /nfs/dbraw/zinc/87/66/18/1081876618.db2.gz KIBRCJUFMSCEBM-UWJYYQICSA-N 1 3 353.466 4.158 20 0 FIADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398201904 1082116128 /nfs/dbraw/zinc/11/61/28/1082116128.db2.gz PXNDEWGKKDHYMU-AUSIDOKSSA-N 1 3 352.522 4.476 20 0 FIADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398201904 1082116130 /nfs/dbraw/zinc/11/61/30/1082116130.db2.gz PXNDEWGKKDHYMU-AUSIDOKSSA-N 1 3 352.522 4.476 20 0 FIADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884026 1082971316 /nfs/dbraw/zinc/97/13/16/1082971316.db2.gz ODGLYAAIEWYUPT-SFTDATJTSA-N 1 3 366.553 4.275 20 0 FIADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884026 1082971318 /nfs/dbraw/zinc/97/13/18/1082971318.db2.gz ODGLYAAIEWYUPT-SFTDATJTSA-N 1 3 366.553 4.275 20 0 FIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccccc3OC(F)F)CC2)C1 ZINC000471781750 1082983536 /nfs/dbraw/zinc/98/35/36/1082983536.db2.gz RJKYSDFLFMYQJB-QFBILLFUSA-N 1 3 366.496 4.463 20 0 FIADHO C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000181323640 1083865670 /nfs/dbraw/zinc/86/56/70/1083865670.db2.gz QPOXMXQRYIWFIJ-IIBYNOLFSA-N 1 3 372.484 4.331 20 0 FIADHO CCn1nc(CNC2CCC([NH+]3CCC(C)CC3)CC2)c2ccccc21 ZINC000472079114 1084250892 /nfs/dbraw/zinc/25/08/92/1084250892.db2.gz GIGDYPCBMMUWHB-UHFFFAOYSA-N 1 3 354.542 4.189 20 0 FIADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000511479010 1084589555 /nfs/dbraw/zinc/58/95/55/1084589555.db2.gz HADSOFXVCQEPAG-UHFFFAOYSA-N 1 3 354.542 4.159 20 0 FIADHO COc1ccc([C@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191430 1084775393 /nfs/dbraw/zinc/77/53/93/1084775393.db2.gz RWYKEDIKKRPDBM-VGOFRKELSA-N 1 3 356.485 4.245 20 0 FIADHO COc1ccc([C@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccc(F)cc2)cc1 ZINC000414191430 1084775395 /nfs/dbraw/zinc/77/53/95/1084775395.db2.gz RWYKEDIKKRPDBM-VGOFRKELSA-N 1 3 356.485 4.245 20 0 FIADHO COCc1csc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000657470978 1085162829 /nfs/dbraw/zinc/16/28/29/1085162829.db2.gz XOIJFOIUHFGHRC-IBGZPJMESA-N 1 3 358.551 4.286 20 0 FIADHO Cc1cc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)oc2cc1C ZINC000657612613 1085690002 /nfs/dbraw/zinc/69/00/02/1085690002.db2.gz BDQMQGVECUUEDK-UHFFFAOYSA-N 1 3 363.505 4.446 20 0 FIADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000657613726 1085699681 /nfs/dbraw/zinc/69/96/81/1085699681.db2.gz PYLJUQIYBFOHJW-FYYLOGMGSA-N 1 3 364.537 4.005 20 0 FIADHO COc1c(F)cccc1CN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001143523316 1086392033 /nfs/dbraw/zinc/39/20/33/1086392033.db2.gz IYKHSCUAGFIFJS-FQEVSTJZSA-N 1 3 372.484 4.304 20 0 FIADHO COc1c(F)cccc1CN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001143523316 1086392043 /nfs/dbraw/zinc/39/20/43/1086392043.db2.gz IYKHSCUAGFIFJS-FQEVSTJZSA-N 1 3 372.484 4.304 20 0 FIADHO C[C@H](c1ccccc1Cl)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327668 1086419097 /nfs/dbraw/zinc/41/90/97/1086419097.db2.gz KMVVWMMTANGSHP-OAHLLOKOSA-N 1 3 372.944 4.471 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1c(OC(F)F)ccc3ccccc31)C2 ZINC000561398402 1086504758 /nfs/dbraw/zinc/50/47/58/1086504758.db2.gz UPUVSYAWXWRXFW-SJPCQFCGSA-N 1 3 360.448 4.498 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1c(OC(F)F)ccc3ccccc31)C2 ZINC000561398402 1086504767 /nfs/dbraw/zinc/50/47/67/1086504767.db2.gz UPUVSYAWXWRXFW-SJPCQFCGSA-N 1 3 360.448 4.498 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469979 1086576910 /nfs/dbraw/zinc/57/69/10/1086576910.db2.gz SHCQPUDPUWJRFY-ICSRJNTNSA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469979 1086576919 /nfs/dbraw/zinc/57/69/19/1086576919.db2.gz SHCQPUDPUWJRFY-ICSRJNTNSA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469979 1086576932 /nfs/dbraw/zinc/57/69/32/1086576932.db2.gz SHCQPUDPUWJRFY-ICSRJNTNSA-N 1 3 371.569 4.239 20 0 FIADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417743 1086741558 /nfs/dbraw/zinc/74/15/58/1086741558.db2.gz OCUPKKHYLDFVPP-CVEARBPZSA-N 1 3 372.525 4.195 20 0 FIADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417743 1086741567 /nfs/dbraw/zinc/74/15/67/1086741567.db2.gz OCUPKKHYLDFVPP-CVEARBPZSA-N 1 3 372.525 4.195 20 0 FIADHO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000432425781 1086752686 /nfs/dbraw/zinc/75/26/86/1086752686.db2.gz NPYAXAZCRNXDNI-LEHRLTEOSA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)Sc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432430008 1086757759 /nfs/dbraw/zinc/75/77/59/1086757759.db2.gz RJRVIGFAGMOSGL-MSOLQXFVSA-N 1 3 350.572 4.339 20 0 FIADHO CC(C)Sc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432430008 1086757763 /nfs/dbraw/zinc/75/77/63/1086757763.db2.gz RJRVIGFAGMOSGL-MSOLQXFVSA-N 1 3 350.572 4.339 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H](c1ccc(Br)s1)C1CC1 ZINC000650757172 1086970156 /nfs/dbraw/zinc/97/01/56/1086970156.db2.gz QGJFTGQJRFXQQK-KRWDZBQOSA-N 1 3 365.340 4.471 20 0 FIADHO Fc1ccc(OCc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000647328482 1087260352 /nfs/dbraw/zinc/26/03/52/1087260352.db2.gz TTZBLMODOJHAFR-UHFFFAOYSA-N 1 3 354.469 4.121 20 0 FIADHO COCCC[NH+]1CCC(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091317659 1087427921 /nfs/dbraw/zinc/42/79/21/1087427921.db2.gz DTDVKYASNWIWQA-LJQANCHMSA-N 1 3 370.459 4.247 20 0 FIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470329 1087577988 /nfs/dbraw/zinc/57/79/88/1087577988.db2.gz HAJBPTGDQUCJQM-VGOFRKELSA-N 1 3 356.485 4.177 20 0 FIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000685470329 1087577991 /nfs/dbraw/zinc/57/79/91/1087577991.db2.gz HAJBPTGDQUCJQM-VGOFRKELSA-N 1 3 356.485 4.177 20 0 FIADHO CCC[N@H+](CC)C[C@H](C)NC1CCN(Cc2ccccc2Cl)CC1 ZINC000685666135 1087669709 /nfs/dbraw/zinc/66/97/09/1087669709.db2.gz ZFDZHOGHERHKBM-KRWDZBQOSA-N 1 3 351.966 4.014 20 0 FIADHO CCC[N@@H+](CC)C[C@H](C)NC1CCN(Cc2ccccc2Cl)CC1 ZINC000685666135 1087669711 /nfs/dbraw/zinc/66/97/11/1087669711.db2.gz ZFDZHOGHERHKBM-KRWDZBQOSA-N 1 3 351.966 4.014 20 0 FIADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCCCC2 ZINC000658166759 1087761358 /nfs/dbraw/zinc/76/13/58/1087761358.db2.gz ONHFFQABZVIDTF-FGZHOGPDSA-N 1 3 371.569 4.011 20 0 FIADHO CCOc1ccccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168134 1087765216 /nfs/dbraw/zinc/76/52/16/1087765216.db2.gz VVVSQRXXPZKTAL-SFHVURJKSA-N 1 3 353.510 4.043 20 0 FIADHO c1csc([C@H](Cc2ccncc2)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000424325168 1087921495 /nfs/dbraw/zinc/92/14/95/1087921495.db2.gz XFEDKQCHUZCAST-FQEVSTJZSA-N 1 3 355.551 4.424 20 0 FIADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000424343559 1087953407 /nfs/dbraw/zinc/95/34/07/1087953407.db2.gz FTIAOXXFZRAASJ-LHGONGGSSA-N 1 3 356.554 4.082 20 0 FIADHO CN(C/C=C\C[N@H+](C)Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000613592051 1088750158 /nfs/dbraw/zinc/75/01/58/1088750158.db2.gz ZGQQQZXHYHJLFL-ARJAWSKDSA-N 1 3 366.402 4.363 20 0 FIADHO CN(C/C=C\C[N@@H+](C)Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000613592051 1088750175 /nfs/dbraw/zinc/75/01/75/1088750175.db2.gz ZGQQQZXHYHJLFL-ARJAWSKDSA-N 1 3 366.402 4.363 20 0 FIADHO CCOCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000782969810 1088771215 /nfs/dbraw/zinc/77/12/15/1088771215.db2.gz XNPOGKFTAGYDJF-DENIHFKCSA-N 1 3 368.521 4.060 20 0 FIADHO [NH3+]CCC[C@@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000415072059 1089129152 /nfs/dbraw/zinc/12/91/52/1089129152.db2.gz XMMSIGHDIFNRHH-QGZVFWFLSA-N 1 3 351.263 4.158 20 0 FIADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415093801 1089153460 /nfs/dbraw/zinc/15/34/60/1089153460.db2.gz WCGCHMJKUGGZNW-GDBMZVCRSA-N 1 3 371.352 4.162 20 0 FIADHO c1cc(CN(Cc2cccc3cccnc32)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435427317 1089645420 /nfs/dbraw/zinc/64/54/20/1089645420.db2.gz MGWLSWWJQRARJJ-HXUWFJFHSA-N 1 3 363.530 4.441 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000163782274 1089783796 /nfs/dbraw/zinc/78/37/96/1089783796.db2.gz YNOXVWFEPUOHCI-NSYGIPOTSA-N 1 3 358.551 4.117 20 0 FIADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659867884 1089841575 /nfs/dbraw/zinc/84/15/75/1089841575.db2.gz XUFVGLHTZIGOPH-ZPFZUWPUSA-N 1 3 369.597 4.061 20 0 FIADHO C[N@@H+]1CC[C@@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402551 1090232486 /nfs/dbraw/zinc/23/24/86/1090232486.db2.gz DDPJXODTPNFWID-XMSQKQJNSA-N 1 3 356.460 4.123 20 0 FIADHO C[N@H+]1CC[C@@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C1 ZINC000549402551 1090232488 /nfs/dbraw/zinc/23/24/88/1090232488.db2.gz DDPJXODTPNFWID-XMSQKQJNSA-N 1 3 356.460 4.123 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)CC2)c1 ZINC000582032412 1090327569 /nfs/dbraw/zinc/32/75/69/1090327569.db2.gz HGLIODLLXXBCKC-GHTZIAJQSA-N 1 3 356.554 4.360 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCc2ccc(C)nc2)cc1CN1CCCCC1 ZINC000182947377 1090381725 /nfs/dbraw/zinc/38/17/25/1090381725.db2.gz FQUPJKGDHPWVHG-LJQANCHMSA-N 1 3 367.537 4.278 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1OC ZINC000183013419 1090385997 /nfs/dbraw/zinc/38/59/97/1090385997.db2.gz JWZNMHPZSNZHKV-MEGFKASBSA-N 1 3 360.542 4.001 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417310970 1090805525 /nfs/dbraw/zinc/80/55/25/1090805525.db2.gz LELUWSLBEXWJAN-ZIBCJSCZSA-N 1 3 354.563 4.394 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759985 1090844540 /nfs/dbraw/zinc/84/45/40/1090844540.db2.gz BOMNJVSWNMSBOW-XXBNENTESA-N 1 3 370.512 4.200 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759985 1090844550 /nfs/dbraw/zinc/84/45/50/1090844550.db2.gz BOMNJVSWNMSBOW-XXBNENTESA-N 1 3 370.512 4.200 20 0 FIADHO Cc1cccc([C@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000500069916 1091021828 /nfs/dbraw/zinc/02/18/28/1091021828.db2.gz KZOVRDIHAPDRNT-HSZRJFAPSA-N 1 3 357.586 4.247 20 0 FIADHO Cc1cccc([C@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1C ZINC000500069916 1091021835 /nfs/dbraw/zinc/02/18/35/1091021835.db2.gz KZOVRDIHAPDRNT-HSZRJFAPSA-N 1 3 357.586 4.247 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098518 1091036687 /nfs/dbraw/zinc/03/66/87/1091036687.db2.gz MPKREJSHPISINB-MOPGFXCFSA-N 1 3 365.993 4.180 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098518 1091036693 /nfs/dbraw/zinc/03/66/93/1091036693.db2.gz MPKREJSHPISINB-MOPGFXCFSA-N 1 3 365.993 4.180 20 0 FIADHO Cc1cccc([C@@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000500137238 1091064288 /nfs/dbraw/zinc/06/42/88/1091064288.db2.gz HPLOTDUYWBKFFQ-QHCPKHFHSA-N 1 3 357.586 4.328 20 0 FIADHO Cc1cccc([C@@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000500137238 1091064297 /nfs/dbraw/zinc/06/42/97/1091064297.db2.gz HPLOTDUYWBKFFQ-QHCPKHFHSA-N 1 3 357.586 4.328 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464735 1091370887 /nfs/dbraw/zinc/37/08/87/1091370887.db2.gz CYJZDMFTAFOJMX-SJLPKXTDSA-N 1 3 360.448 4.461 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000388464735 1091370902 /nfs/dbraw/zinc/37/09/02/1091370902.db2.gz CYJZDMFTAFOJMX-SJLPKXTDSA-N 1 3 360.448 4.461 20 0 FIADHO C/C(=C\c1ccccc1C(F)(F)F)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000500416083 1091469459 /nfs/dbraw/zinc/46/94/59/1091469459.db2.gz MWFMNIRGWZBYHN-HJUDDPQBSA-N 1 3 370.459 4.199 20 0 FIADHO C/C(=C\c1ccccc1C(F)(F)F)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000500416083 1091469463 /nfs/dbraw/zinc/46/94/63/1091469463.db2.gz MWFMNIRGWZBYHN-HJUDDPQBSA-N 1 3 370.459 4.199 20 0 FIADHO CO[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069332 1091811441 /nfs/dbraw/zinc/81/14/41/1091811441.db2.gz OPLBRZOCYAKNHH-VXKWHMMOSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069332 1091811446 /nfs/dbraw/zinc/81/14/46/1091811446.db2.gz OPLBRZOCYAKNHH-VXKWHMMOSA-N 1 3 352.522 4.264 20 0 FIADHO COCc1ccc(CN2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)o1 ZINC001279306822 1092049190 /nfs/dbraw/zinc/04/91/90/1092049190.db2.gz SHWJLBYBFHMJPF-UHFFFAOYSA-N 1 3 374.447 4.056 20 0 FIADHO COCc1ccc(CN2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)o1 ZINC001279306822 1092049205 /nfs/dbraw/zinc/04/92/05/1092049205.db2.gz SHWJLBYBFHMJPF-UHFFFAOYSA-N 1 3 374.447 4.056 20 0 FIADHO CCCOc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000521830262 1092933266 /nfs/dbraw/zinc/93/32/66/1092933266.db2.gz LVPCIUAKTCYYBK-JOCHJYFZSA-N 1 3 352.522 4.130 20 0 FIADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000521845381 1092943338 /nfs/dbraw/zinc/94/33/38/1092943338.db2.gz QEALCJPEKKTIKF-UHFFFAOYSA-N 1 3 358.913 4.350 20 0 FIADHO C[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)N1[C@H](C)CC[C@H]1C ZINC000443212201 1092985342 /nfs/dbraw/zinc/98/53/42/1092985342.db2.gz LVBVCOCTQQFJLW-BRWVUGGUSA-N 1 3 354.498 4.266 20 0 FIADHO CCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000512659446 1093094807 /nfs/dbraw/zinc/09/48/07/1093094807.db2.gz HATYFYVYOVJUAI-BHDDXSALSA-N 1 3 356.554 4.084 20 0 FIADHO Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)sc1C ZINC000512666371 1093105977 /nfs/dbraw/zinc/10/59/77/1093105977.db2.gz KFBQXQHTJHVQMR-QHAWAJNXSA-N 1 3 369.578 4.193 20 0 FIADHO C[C@H]1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C[C@H](C)N1Cc1ccccc1 ZINC001168017512 1093151062 /nfs/dbraw/zinc/15/10/62/1093151062.db2.gz AVOOOVGUTFYMBP-GZEZKRSXSA-N 1 3 355.570 4.033 20 0 FIADHO C[NH+](C)CCCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000522197318 1093201662 /nfs/dbraw/zinc/20/16/62/1093201662.db2.gz AYWMIPMWNKZUIT-UHFFFAOYSA-N 1 3 357.445 4.260 20 0 FIADHO C[C@@H]1CC(NCCC(=O)Nc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023509 1093361936 /nfs/dbraw/zinc/36/19/36/1093361936.db2.gz XCIGLIMQFQJBBJ-RTBURBONSA-N 1 3 365.521 4.046 20 0 FIADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000389141371 1093454368 /nfs/dbraw/zinc/45/43/68/1093454368.db2.gz VHIMAEBOXPJVON-ABSDTBQOSA-N 1 3 356.485 4.396 20 0 FIADHO C[C@H](COc1ccccc1)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026950 1093506972 /nfs/dbraw/zinc/50/69/72/1093506972.db2.gz MMIFLQIAURYSOH-XWSHUIEDSA-N 1 3 352.522 4.485 20 0 FIADHO C[C@H](COc1ccccc1)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168026950 1093506974 /nfs/dbraw/zinc/50/69/74/1093506974.db2.gz MMIFLQIAURYSOH-XWSHUIEDSA-N 1 3 352.522 4.485 20 0 FIADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474427914 1093779985 /nfs/dbraw/zinc/77/99/85/1093779985.db2.gz SFNXEXGDUZYHGF-MRXNPFEDSA-N 1 3 356.341 4.036 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Br)c(Cl)c1)C2 ZINC000513139237 1093891815 /nfs/dbraw/zinc/89/18/15/1093891815.db2.gz OCURIBMTXLVXKI-PBWFPOADSA-N 1 3 357.723 4.160 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Br)c(Cl)c1)C2 ZINC000513139237 1093891818 /nfs/dbraw/zinc/89/18/18/1093891818.db2.gz OCURIBMTXLVXKI-PBWFPOADSA-N 1 3 357.723 4.160 20 0 FIADHO C[C@@H](CC[NH2+][C@H](Cc1ccccn1)c1cccnc1)N(C)Cc1ccccc1 ZINC000513364180 1094080641 /nfs/dbraw/zinc/08/06/41/1094080641.db2.gz GYTAHINGDZCCEB-GBXCKJPGSA-N 1 3 374.532 4.261 20 0 FIADHO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513678612 1094269950 /nfs/dbraw/zinc/26/99/50/1094269950.db2.gz PVOGIMNQNKQHER-BHDDXSALSA-N 1 3 358.570 4.066 20 0 FIADHO C[C@@H]1C[C@@H](NCC2(c3ncccc3F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037335 1094366807 /nfs/dbraw/zinc/36/68/07/1094366807.db2.gz ZXPAJLBDOLPXRS-OPVJXMOQSA-N 1 3 367.512 4.284 20 0 FIADHO C[C@@H]1C[C@@H](NCC2(c3ncccc3F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037335 1094366816 /nfs/dbraw/zinc/36/68/16/1094366816.db2.gz ZXPAJLBDOLPXRS-OPVJXMOQSA-N 1 3 367.512 4.284 20 0 FIADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1OC ZINC000474607385 1094410919 /nfs/dbraw/zinc/41/09/19/1094410919.db2.gz YDZGHTWFPBOVDX-ROUUACIJSA-N 1 3 374.569 4.440 20 0 FIADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000501007025 1094416854 /nfs/dbraw/zinc/41/68/54/1094416854.db2.gz KIJFMBUCNZSVON-UHFFFAOYSA-N 1 3 363.977 4.115 20 0 FIADHO CC(C)C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501057676 1094469358 /nfs/dbraw/zinc/46/93/58/1094469358.db2.gz XDUKEXHSUJXDLQ-OAQYLSRUSA-N 1 3 365.993 4.433 20 0 FIADHO COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000502240043 1095244538 /nfs/dbraw/zinc/24/45/38/1095244538.db2.gz FXSOBZFDNKWVEO-GOSISDBHSA-N 1 3 374.569 4.330 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051054 1095769880 /nfs/dbraw/zinc/76/98/80/1095769880.db2.gz FRJBCFMRNTWGPJ-KOUHRCEDSA-N 1 3 372.553 4.092 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051054 1095769897 /nfs/dbraw/zinc/76/98/97/1095769897.db2.gz FRJBCFMRNTWGPJ-KOUHRCEDSA-N 1 3 372.553 4.092 20 0 FIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414662430 1096371762 /nfs/dbraw/zinc/37/17/62/1096371762.db2.gz QFNRHQAIUWOBTI-AZUAARDMSA-N 1 3 360.505 4.017 20 0 FIADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414662432 1096372265 /nfs/dbraw/zinc/37/22/65/1096372265.db2.gz QFNRHQAIUWOBTI-QUCCMNQESA-N 1 3 360.505 4.017 20 0 FIADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503377168 1096378061 /nfs/dbraw/zinc/37/80/61/1096378061.db2.gz PILOTVOSGIAURN-SFHVURJKSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(Br)cc2)CC1 ZINC000503377168 1096378067 /nfs/dbraw/zinc/37/80/67/1096378067.db2.gz PILOTVOSGIAURN-SFHVURJKSA-N 1 3 351.332 4.113 20 0 FIADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(Br)cc2)CC1 ZINC000503377168 1096378074 /nfs/dbraw/zinc/37/80/74/1096378074.db2.gz PILOTVOSGIAURN-SFHVURJKSA-N 1 3 351.332 4.113 20 0 FIADHO CC(C)[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422778321 1096488943 /nfs/dbraw/zinc/48/89/43/1096488943.db2.gz DJOFLKXTKZBWHY-ILWGZMRPSA-N 1 3 354.469 4.368 20 0 FIADHO CC(C)[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422778319 1096488971 /nfs/dbraw/zinc/48/89/71/1096488971.db2.gz DJOFLKXTKZBWHY-BVSLBCMMSA-N 1 3 354.469 4.368 20 0 FIADHO CCCOc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422785840 1096490403 /nfs/dbraw/zinc/49/04/03/1096490403.db2.gz RUWHERPACBBDEO-JWNTYJGQSA-N 1 3 366.505 4.382 20 0 FIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(-c2cccnc2)cc1 ZINC000422813888 1096498324 /nfs/dbraw/zinc/49/83/24/1096498324.db2.gz YUXJCKNCBBWYPL-UPVQGACJSA-N 1 3 371.484 4.094 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422874670 1096518138 /nfs/dbraw/zinc/51/81/38/1096518138.db2.gz OCMXHEFAWNIHSZ-UONOGXRCSA-N 1 3 357.473 4.188 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422936972 1096530008 /nfs/dbraw/zinc/53/00/08/1096530008.db2.gz NJCTZPFMTPGZIA-STQMWFEESA-N 1 3 351.416 4.149 20 0 FIADHO COc1cc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OCC(C)C ZINC000422944542 1096535857 /nfs/dbraw/zinc/53/58/57/1096535857.db2.gz SHEJUIZVAYDVHR-HZPDHXFCSA-N 1 3 371.525 4.304 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000423015024 1096550605 /nfs/dbraw/zinc/55/06/05/1096550605.db2.gz QEKSVDYGXWRMDJ-VXGBXAGGSA-N 1 3 352.309 4.437 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000423015023 1096550710 /nfs/dbraw/zinc/55/07/10/1096550710.db2.gz QEKSVDYGXWRMDJ-RYUDHWBXSA-N 1 3 352.309 4.437 20 0 FIADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023098 1096552008 /nfs/dbraw/zinc/55/20/08/1096552008.db2.gz IXTGCFWORMLNGO-OOBDGNPPSA-N 1 3 373.903 4.206 20 0 FIADHO CN1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023098 1096552013 /nfs/dbraw/zinc/55/20/13/1096552013.db2.gz IXTGCFWORMLNGO-OOBDGNPPSA-N 1 3 373.903 4.206 20 0 FIADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423035612 1096555934 /nfs/dbraw/zinc/55/59/34/1096555934.db2.gz SADHWNIFUKZMTA-DNVCBOLYSA-N 1 3 370.368 4.065 20 0 FIADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1Cl ZINC000423135904 1096592802 /nfs/dbraw/zinc/59/28/02/1096592802.db2.gz ONZRPAJWDSOBBZ-PBWFPOADSA-N 1 3 371.750 4.253 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423225453 1096622900 /nfs/dbraw/zinc/62/29/00/1096622900.db2.gz MVPRFFXTAKLJSG-WDEREUQCSA-N 1 3 368.344 4.269 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000423291464 1096636150 /nfs/dbraw/zinc/63/61/50/1096636150.db2.gz IJMKEVKONNHEMH-GTNSWQLSSA-N 1 3 363.274 4.385 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3sc(Br)cc32)cc1 ZINC000423293162 1096636794 /nfs/dbraw/zinc/63/67/94/1096636794.db2.gz QASAPGUGVSJZCA-YGRLFVJLSA-N 1 3 351.313 4.307 20 0 FIADHO COc1cc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000423293831 1096643636 /nfs/dbraw/zinc/64/36/36/1096643636.db2.gz SDLCTNDBAJJQDS-STQMWFEESA-N 1 3 350.409 4.167 20 0 FIADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423297292 1096644770 /nfs/dbraw/zinc/64/47/70/1096644770.db2.gz JQRCOFLPIRCRBF-QWRGUYRKSA-N 1 3 368.344 4.126 20 0 FIADHO C[C@H](CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423360026 1096656076 /nfs/dbraw/zinc/65/60/76/1096656076.db2.gz FEUVFVWVWFHAKY-AXAPSJFSSA-N 1 3 350.375 4.121 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423399893 1096667291 /nfs/dbraw/zinc/66/72/91/1096667291.db2.gz VFVSHEBUABIXQD-INIZCTEOSA-N 1 3 366.509 4.014 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000423482439 1096696779 /nfs/dbraw/zinc/69/67/79/1096696779.db2.gz XRMPACFEBABUFD-WJFJTQNHSA-N 1 3 367.512 4.230 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000423482435 1096697299 /nfs/dbraw/zinc/69/72/99/1096697299.db2.gz XRMPACFEBABUFD-NKRSRWBGSA-N 1 3 367.512 4.230 20 0 FIADHO Cc1c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000423503604 1096700585 /nfs/dbraw/zinc/70/05/85/1096700585.db2.gz MWEAJRYMNDAWLE-ZHRRBRCNSA-N 1 3 366.484 4.451 20 0 FIADHO Cc1c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000423503600 1096700901 /nfs/dbraw/zinc/70/09/01/1096700901.db2.gz MWEAJRYMNDAWLE-KSFYIVLOSA-N 1 3 366.484 4.451 20 0 FIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000423507782 1096701978 /nfs/dbraw/zinc/70/19/78/1096701978.db2.gz QKOGOLFSIAQYQT-YWZLYKJASA-N 1 3 369.900 4.052 20 0 FIADHO C[C@H]1C[C@H](NCc2cc3c(cccc3F)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000436298648 1098910961 /nfs/dbraw/zinc/91/09/61/1098910961.db2.gz ZLNCRFBCMIPSNA-FUHWJXTLSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@H]1C[C@H](NCc2cc3c(cccc3F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000436298648 1098910965 /nfs/dbraw/zinc/91/09/65/1098910965.db2.gz ZLNCRFBCMIPSNA-FUHWJXTLSA-N 1 3 351.469 4.450 20 0 FIADHO CCOC(=O)c1oc2ccccc2c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271649 1098922866 /nfs/dbraw/zinc/92/28/66/1098922866.db2.gz JYFAAUOQBBFULZ-UHFFFAOYSA-N 1 3 372.509 4.162 20 0 FIADHO CCOC(=O)c1oc2ccccc2c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271649 1098922869 /nfs/dbraw/zinc/92/28/69/1098922869.db2.gz JYFAAUOQBBFULZ-UHFFFAOYSA-N 1 3 372.509 4.162 20 0 FIADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447235 1099073056 /nfs/dbraw/zinc/07/30/56/1099073056.db2.gz PKNCLIJZTXZWHN-UONOGXRCSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000533447235 1099073071 /nfs/dbraw/zinc/07/30/71/1099073071.db2.gz PKNCLIJZTXZWHN-UONOGXRCSA-N 1 3 372.340 4.127 20 0 FIADHO CCCC[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000533715067 1099359139 /nfs/dbraw/zinc/35/91/39/1099359139.db2.gz XMLNRGKVASTMBF-KRWDZBQOSA-N 1 3 359.341 4.271 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCC[C@@H]21 ZINC000516324646 1099369647 /nfs/dbraw/zinc/36/96/47/1099369647.db2.gz XWBHALNZIDQFTM-GIWBLDEGSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCC[C@@H]21 ZINC000516324646 1099369660 /nfs/dbraw/zinc/36/96/60/1099369660.db2.gz XWBHALNZIDQFTM-GIWBLDEGSA-N 1 3 374.532 4.047 20 0 FIADHO C(=C\c1ccc(OCc2ccccc2)cc1)\CNC1CC[NH+](C2CC2)CC1 ZINC000459390752 1099711371 /nfs/dbraw/zinc/71/13/71/1099711371.db2.gz PBTUGTSWUKPBBK-DAXSKMNVSA-N 1 3 362.517 4.495 20 0 FIADHO CSc1ccc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000162502157 1099813178 /nfs/dbraw/zinc/81/31/78/1099813178.db2.gz MKROSKKKBHKNMR-HNNXBMFYSA-N 1 3 362.514 4.339 20 0 FIADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708938 1099888009 /nfs/dbraw/zinc/88/80/09/1099888009.db2.gz FCXQGUBSRIBUKA-ILWGZMRPSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708938 1099888016 /nfs/dbraw/zinc/88/80/16/1099888016.db2.gz FCXQGUBSRIBUKA-ILWGZMRPSA-N 1 3 369.553 4.163 20 0 FIADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000516870696 1099897840 /nfs/dbraw/zinc/89/78/40/1099897840.db2.gz KVDJIISYHVGUIV-UYAOXDASSA-N 1 3 364.574 4.275 20 0 FIADHO COc1ccccc1[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459418707 1100145547 /nfs/dbraw/zinc/14/55/47/1100145547.db2.gz TZOGVAVNWDISTA-XMMPIXPASA-N 1 3 373.500 4.438 20 0 FIADHO CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000536675119 1100164803 /nfs/dbraw/zinc/16/48/03/1100164803.db2.gz OCDDVVSFKOVGFN-HSZRJFAPSA-N 1 3 366.553 4.008 20 0 FIADHO CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000536675119 1100164813 /nfs/dbraw/zinc/16/48/13/1100164813.db2.gz OCDDVVSFKOVGFN-HSZRJFAPSA-N 1 3 366.553 4.008 20 0 FIADHO C[NH+](C)CCCC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000536695558 1100194281 /nfs/dbraw/zinc/19/42/81/1100194281.db2.gz IFPAIKBPLZSEDR-UHFFFAOYSA-N 1 3 355.501 4.442 20 0 FIADHO CC(C)(CNCc1cc(C2CC[NH2+]CC2)no1)c1c(F)cccc1Cl ZINC000425899322 1100196560 /nfs/dbraw/zinc/19/65/60/1100196560.db2.gz KWPBKVKWYINHPA-UHFFFAOYSA-N 1 3 365.880 4.002 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000536861961 1100379975 /nfs/dbraw/zinc/37/99/75/1100379975.db2.gz IKPHQBXLUAJAPT-RVKKMQEKSA-N 1 3 368.974 4.356 20 0 FIADHO COc1ccc(CC[C@@H](C)N[C@@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938965 1100839037 /nfs/dbraw/zinc/83/90/37/1100839037.db2.gz IWPXLVGBMRVEAW-IERDGZPVSA-N 1 3 364.489 4.165 20 0 FIADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)C[NH2+]C3)c2cccc(Br)c21 ZINC000423369511 1101508252 /nfs/dbraw/zinc/50/82/52/1101508252.db2.gz DYSFCENHFBQTID-XIKOKIGWSA-N 1 3 357.295 4.390 20 0 FIADHO CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000648446705 1101706675 /nfs/dbraw/zinc/70/66/75/1101706675.db2.gz PQTKYSUARUHPTN-MOPGFXCFSA-N 1 3 350.934 4.099 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000061070267 1102257254 /nfs/dbraw/zinc/25/72/54/1102257254.db2.gz HZVCMUDXZRFTKB-UHFFFAOYSA-N 1 3 373.544 4.267 20 0 FIADHO C[C@H](CCCC[NH3+])NCc1csc(-c2cccc(Br)c2)n1 ZINC000415020366 1102263900 /nfs/dbraw/zinc/26/39/00/1102263900.db2.gz XIUJSLYJTXACJW-GFCCVEGCSA-N 1 3 368.344 4.180 20 0 FIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000532451791 1102344876 /nfs/dbraw/zinc/34/48/76/1102344876.db2.gz DPFZSZWLOCPYRP-GOSISDBHSA-N 1 3 369.322 4.286 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000532485506 1102425902 /nfs/dbraw/zinc/42/59/02/1102425902.db2.gz QLQCLTYVGHZPBN-HYBUGGRVSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000532485506 1102425907 /nfs/dbraw/zinc/42/59/07/1102425907.db2.gz QLQCLTYVGHZPBN-HYBUGGRVSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000532485506 1102425910 /nfs/dbraw/zinc/42/59/10/1102425910.db2.gz QLQCLTYVGHZPBN-HYBUGGRVSA-N 1 3 364.533 4.227 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121817622 1102477032 /nfs/dbraw/zinc/47/70/32/1102477032.db2.gz WFUQZTNGPKTYJD-JOCHJYFZSA-N 1 3 350.506 4.240 20 0 FIADHO COCC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000550861101 1102645007 /nfs/dbraw/zinc/64/50/07/1102645007.db2.gz WETNHCIGGUAJLC-FDFHNCONSA-N 1 3 356.554 4.084 20 0 FIADHO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167984748 1103220178 /nfs/dbraw/zinc/22/01/78/1103220178.db2.gz QOWUXKBSHRARAS-JIMIUWDKSA-N 1 3 356.554 4.354 20 0 FIADHO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167984748 1103220182 /nfs/dbraw/zinc/22/01/82/1103220182.db2.gz QOWUXKBSHRARAS-JIMIUWDKSA-N 1 3 356.554 4.354 20 0 FIADHO c1ccc2c(c1)nc([C@@H]1CCCCN1)n2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994457 1104491131 /nfs/dbraw/zinc/49/11/31/1104491131.db2.gz FJJOYKQJEPNNNC-VHRCFOOQSA-N 1 3 364.537 4.429 20 0 FIADHO c1ccc2c(c1)nc([C@@H]1CCCCN1)n2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994457 1104491139 /nfs/dbraw/zinc/49/11/39/1104491139.db2.gz FJJOYKQJEPNNNC-VHRCFOOQSA-N 1 3 364.537 4.429 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000388829658 1105044595 /nfs/dbraw/zinc/04/45/95/1105044595.db2.gz WZJIUXFKGGPFMS-SQGPQFPESA-N 1 3 356.485 4.396 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375633 1105061951 /nfs/dbraw/zinc/06/19/51/1105061951.db2.gz PYOHKYIQFNZOEA-KGLIPLIRSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375633 1105061957 /nfs/dbraw/zinc/06/19/57/1105061957.db2.gz PYOHKYIQFNZOEA-KGLIPLIRSA-N 1 3 358.473 4.476 20 0 FIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152406612 1105087870 /nfs/dbraw/zinc/08/78/70/1105087870.db2.gz AIKTVXSDKUICLE-MSOLQXFVSA-N 1 3 350.506 4.497 20 0 FIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152406612 1105087877 /nfs/dbraw/zinc/08/78/77/1105087877.db2.gz AIKTVXSDKUICLE-MSOLQXFVSA-N 1 3 350.506 4.497 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N1[C@H](C)CC[C@H]1C ZINC000508204650 1105358480 /nfs/dbraw/zinc/35/84/80/1105358480.db2.gz IHDBRZNQAMWRHO-MKXGPGLRSA-N 1 3 357.542 4.118 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1[C@H](C)CC[C@H]1C ZINC000508204650 1105358490 /nfs/dbraw/zinc/35/84/90/1105358490.db2.gz IHDBRZNQAMWRHO-MKXGPGLRSA-N 1 3 357.542 4.118 20 0 FIADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530221136 1106915298 /nfs/dbraw/zinc/91/52/98/1106915298.db2.gz NOOIICFUAVILAO-SFHLNBCPSA-N 1 3 354.881 4.173 20 0 FIADHO Cc1ccc2nccc(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)c2c1 ZINC000302906190 1107485159 /nfs/dbraw/zinc/48/51/59/1107485159.db2.gz WOFBIGYJBBYFLC-HXUWFJFHSA-N 1 3 361.489 4.112 20 0 FIADHO Cc1ccc2nccc(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)c2c1 ZINC000302906190 1107485163 /nfs/dbraw/zinc/48/51/63/1107485163.db2.gz WOFBIGYJBBYFLC-HXUWFJFHSA-N 1 3 361.489 4.112 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCCC[NH+]2CCCCC2)cc1OC ZINC000531717589 1108110148 /nfs/dbraw/zinc/11/01/48/1108110148.db2.gz IJXQVEXVGKAOPC-INIZCTEOSA-N 1 3 352.494 4.150 20 0 FIADHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453127596 1108206282 /nfs/dbraw/zinc/20/62/82/1108206282.db2.gz PPGBOQLOEPGLFB-ZLNRFVROSA-N 1 3 366.553 4.005 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000532210718 1108712059 /nfs/dbraw/zinc/71/20/59/1108712059.db2.gz MUIDJHWWHGKEBL-KRWDZBQOSA-N 1 3 365.521 4.264 20 0 FIADHO CCCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OCC ZINC000508540330 1108949165 /nfs/dbraw/zinc/94/91/65/1108949165.db2.gz CPSKDUADWFUDBP-MRXNPFEDSA-N 1 3 368.949 4.301 20 0 FIADHO CCCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OCC ZINC000508540330 1108949168 /nfs/dbraw/zinc/94/91/68/1108949168.db2.gz CPSKDUADWFUDBP-MRXNPFEDSA-N 1 3 368.949 4.301 20 0 FIADHO CCCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OCC ZINC000508540328 1108949444 /nfs/dbraw/zinc/94/94/44/1108949444.db2.gz CPSKDUADWFUDBP-INIZCTEOSA-N 1 3 368.949 4.301 20 0 FIADHO CCCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OCC ZINC000508540328 1108949445 /nfs/dbraw/zinc/94/94/45/1108949445.db2.gz CPSKDUADWFUDBP-INIZCTEOSA-N 1 3 368.949 4.301 20 0 FIADHO CN(C(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428417135 1108973595 /nfs/dbraw/zinc/97/35/95/1108973595.db2.gz BMOGDCHZVMRTJK-UHFFFAOYSA-N 1 3 371.569 4.009 20 0 FIADHO C[N@@H+]1CCC[C@@H](CNCC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697386 1109481740 /nfs/dbraw/zinc/48/17/40/1109481740.db2.gz RPVFLROBUOATGO-RXVVDRJESA-N 1 3 354.519 4.197 20 0 FIADHO C[N@H+]1CCC[C@@H](CNCC2=Cc3ccccc3OC2)[C@H]1c1cccs1 ZINC000525697386 1109481743 /nfs/dbraw/zinc/48/17/43/1109481743.db2.gz RPVFLROBUOATGO-RXVVDRJESA-N 1 3 354.519 4.197 20 0 FIADHO CSc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000447587746 1109587611 /nfs/dbraw/zinc/58/76/11/1109587611.db2.gz SBILUAMWVSMREC-OWZKRDHZSA-N 1 3 353.535 4.089 20 0 FIADHO COc1ccc(C2([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)cc1 ZINC000447589943 1109588964 /nfs/dbraw/zinc/58/89/64/1109588964.db2.gz ZGFVPTLNDRZUMY-KOUNCHBCSA-N 1 3 362.517 4.470 20 0 FIADHO CC[NH+](CC)CCOC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000527048366 1109679910 /nfs/dbraw/zinc/67/99/10/1109679910.db2.gz TXOYPYMYQWOXCQ-AATRIKPKSA-N 1 3 350.934 4.176 20 0 FIADHO C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000544422443 1109791697 /nfs/dbraw/zinc/79/16/97/1109791697.db2.gz XXIIEMIBPMVVNK-IAGOWNOFSA-N 1 3 350.934 4.352 20 0 FIADHO c1c2cccnc2oc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449034609 1109961257 /nfs/dbraw/zinc/96/12/57/1109961257.db2.gz CYKHMXZUTUBUKF-UHFFFAOYSA-N 1 3 361.489 4.316 20 0 FIADHO c1c2cccnc2oc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449034609 1109961260 /nfs/dbraw/zinc/96/12/60/1109961260.db2.gz CYKHMXZUTUBUKF-UHFFFAOYSA-N 1 3 361.489 4.316 20 0 FIADHO Cc1ccccc1-c1ccccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000449043898 1109966570 /nfs/dbraw/zinc/96/65/70/1109966570.db2.gz AJEDRZVTLKMUHV-FGCOXFRFSA-N 1 3 364.533 4.346 20 0 FIADHO CCCN1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449092102 1109978928 /nfs/dbraw/zinc/97/89/28/1109978928.db2.gz LHGMOZBZCZCZFW-HLIUYOAVSA-N 1 3 369.322 4.156 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc3c(OC)cccc23)[C@@H](C)C1 ZINC000449137083 1109983983 /nfs/dbraw/zinc/98/39/83/1109983983.db2.gz DJJXNOLKXCRUQB-PGRDOPGGSA-N 1 3 370.537 4.075 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc3c(OC)cccc23)[C@@H](C)C1 ZINC000449137083 1109983984 /nfs/dbraw/zinc/98/39/84/1109983984.db2.gz DJJXNOLKXCRUQB-PGRDOPGGSA-N 1 3 370.537 4.075 20 0 FIADHO COC[C@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449143888 1109985061 /nfs/dbraw/zinc/98/50/61/1109985061.db2.gz YANZVHBNWQQUNB-XXBNENTESA-N 1 3 352.522 4.059 20 0 FIADHO Cc1noc(C)c1[C@H](C)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449186262 1109994287 /nfs/dbraw/zinc/99/42/87/1109994287.db2.gz JCUWQISXVOUBRM-SJORKVTESA-N 1 3 355.526 4.080 20 0 FIADHO Cc1nn(C)c(C)c1CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449208724 1109996478 /nfs/dbraw/zinc/99/64/78/1109996478.db2.gz SYYNHKBEQJIKJN-UHFFFAOYSA-N 1 3 362.606 4.238 20 0 FIADHO CC[C@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)c1c(C)noc1C ZINC000449217386 1109999515 /nfs/dbraw/zinc/99/95/15/1109999515.db2.gz YVOSTITVVDSQAN-IERDGZPVSA-N 1 3 355.526 4.428 20 0 FIADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343040 1110034705 /nfs/dbraw/zinc/03/47/05/1110034705.db2.gz HFXDGLUAUMKDHU-FPOVZHCZSA-N 1 3 358.570 4.330 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342831 1110034818 /nfs/dbraw/zinc/03/48/18/1110034818.db2.gz FPURWCPKRWRPQF-FGZHOGPDSA-N 1 3 356.554 4.084 20 0 FIADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(-c2ccccc2)cc1OC ZINC000449554493 1110108934 /nfs/dbraw/zinc/10/89/34/1110108934.db2.gz BRESVHWLEVVWEQ-IHWFROFDSA-N 1 3 366.505 4.086 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1O2 ZINC000539395544 1111542259 /nfs/dbraw/zinc/54/22/59/1111542259.db2.gz QQECWBSPZITUEF-OAQYLSRUSA-N 1 3 368.496 4.336 20 0 FIADHO CC(C)Cc1cccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000552061394 1111562460 /nfs/dbraw/zinc/56/24/60/1111562460.db2.gz IXQGWRKFYKPTFC-SFHVURJKSA-N 1 3 355.526 4.071 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000552062591 1111562960 /nfs/dbraw/zinc/56/29/60/1111562960.db2.gz AGTKBNUBJBPMJL-BJESRGMDSA-N 1 3 368.565 4.369 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCC5)C4)[C@@H]3C2)cc1 ZINC000552062590 1111563013 /nfs/dbraw/zinc/56/30/13/1111563013.db2.gz AGTKBNUBJBPMJL-AFXVXQJMSA-N 1 3 368.565 4.369 20 0 FIADHO C[C@@H](O)[C@@](C)(CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)Cc1ccccc1 ZINC000477858851 1111579933 /nfs/dbraw/zinc/57/99/33/1111579933.db2.gz MWUDVJKBELXPND-MYSJAJEPSA-N 1 3 372.597 4.249 20 0 FIADHO CC[N@H+](CCC1CCN([C@@H](C)c2ccc(C(=O)OC)o2)CC1)CC(C)C ZINC000552858814 1111833743 /nfs/dbraw/zinc/83/37/43/1111833743.db2.gz MOIJPEWRVZXCEG-KRWDZBQOSA-N 1 3 364.530 4.207 20 0 FIADHO CC[N@@H+](CCC1CCN([C@@H](C)c2ccc(C(=O)OC)o2)CC1)CC(C)C ZINC000552858814 1111833745 /nfs/dbraw/zinc/83/37/45/1111833745.db2.gz MOIJPEWRVZXCEG-KRWDZBQOSA-N 1 3 364.530 4.207 20 0 FIADHO Cc1cc(C)cc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000553149963 1111918580 /nfs/dbraw/zinc/91/85/80/1111918580.db2.gz RWKYXBCJFSUFMF-JOCHJYFZSA-N 1 3 364.533 4.424 20 0 FIADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000479055248 1111937887 /nfs/dbraw/zinc/93/78/87/1111937887.db2.gz GXTOKFXUXLOGOY-YRNRMSPPSA-N 1 3 354.485 4.141 20 0 FIADHO CC[N@@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358114 1111998071 /nfs/dbraw/zinc/99/80/71/1111998071.db2.gz ITJOBOOUQXSMCA-DYVFJYSZSA-N 1 3 351.332 4.103 20 0 FIADHO CC[N@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358114 1111998072 /nfs/dbraw/zinc/99/80/72/1111998072.db2.gz ITJOBOOUQXSMCA-DYVFJYSZSA-N 1 3 351.332 4.103 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358114 1111998074 /nfs/dbraw/zinc/99/80/74/1111998074.db2.gz ITJOBOOUQXSMCA-DYVFJYSZSA-N 1 3 351.332 4.103 20 0 FIADHO COC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449107 1112026960 /nfs/dbraw/zinc/02/69/60/1112026960.db2.gz UGCLSARJYOXCSM-NQIIRXRSSA-N 1 3 358.913 4.139 20 0 FIADHO Cn1ncc(C2CCC2)c1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000667590286 1112231052 /nfs/dbraw/zinc/23/10/52/1112231052.db2.gz RBLMTDQBOFCCAO-UHFFFAOYSA-N 1 3 366.553 4.032 20 0 FIADHO Cn1ncc(C2CCC2)c1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000667590286 1112231055 /nfs/dbraw/zinc/23/10/55/1112231055.db2.gz RBLMTDQBOFCCAO-UHFFFAOYSA-N 1 3 366.553 4.032 20 0 FIADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000480426792 1112422876 /nfs/dbraw/zinc/42/28/76/1112422876.db2.gz ODDZCGDEJCMWEX-HSZRJFAPSA-N 1 3 350.506 4.458 20 0 FIADHO Cc1ccncc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000554858678 1112533240 /nfs/dbraw/zinc/53/32/40/1112533240.db2.gz UDBLIZNJJBUCAE-BJKOFHAPSA-N 1 3 363.549 4.309 20 0 FIADHO Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000554858678 1112533245 /nfs/dbraw/zinc/53/32/45/1112533245.db2.gz UDBLIZNJJBUCAE-BJKOFHAPSA-N 1 3 363.549 4.309 20 0 FIADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccc(F)cc1 ZINC000480698271 1112560150 /nfs/dbraw/zinc/56/01/50/1112560150.db2.gz NHRXTROGMVNPET-HSZRJFAPSA-N 1 3 369.528 4.204 20 0 FIADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccc(F)cc1 ZINC000480698272 1112560351 /nfs/dbraw/zinc/56/03/51/1112560351.db2.gz NHRXTROGMVNPET-QHCPKHFHSA-N 1 3 369.528 4.204 20 0 FIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308036 1112881313 /nfs/dbraw/zinc/88/13/13/1112881313.db2.gz AFOPMMRLTRKIRB-AVRDEDQJSA-N 1 3 356.485 4.050 20 0 FIADHO CC[N@H+]1CC[C@@H](CN[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308036 1112881318 /nfs/dbraw/zinc/88/13/18/1112881318.db2.gz AFOPMMRLTRKIRB-AVRDEDQJSA-N 1 3 356.485 4.050 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)C1 ZINC000481308036 1112881324 /nfs/dbraw/zinc/88/13/24/1112881324.db2.gz AFOPMMRLTRKIRB-AVRDEDQJSA-N 1 3 356.485 4.050 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000481418476 1112936646 /nfs/dbraw/zinc/93/66/46/1112936646.db2.gz LDSPMBVWEXLIOA-ATZDWAIDSA-N 1 3 371.491 4.018 20 0 FIADHO Cc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618215 1112950191 /nfs/dbraw/zinc/95/01/91/1112950191.db2.gz FBHRDQKHMIOMFA-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1cccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618215 1112950192 /nfs/dbraw/zinc/95/01/92/1112950192.db2.gz FBHRDQKHMIOMFA-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000555618215 1112950195 /nfs/dbraw/zinc/95/01/95/1112950195.db2.gz FBHRDQKHMIOMFA-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cc2c(s1)CCCC2 ZINC000481734128 1113059880 /nfs/dbraw/zinc/05/98/80/1113059880.db2.gz GOIWIKUDAUFXSN-MRXNPFEDSA-N 1 3 358.551 4.418 20 0 FIADHO C[C@H](NCc1ccccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000481738610 1113063295 /nfs/dbraw/zinc/06/32/95/1113063295.db2.gz FABDBCZICIWHNH-HNNXBMFYSA-N 1 3 366.427 4.497 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000481947676 1113142301 /nfs/dbraw/zinc/14/23/01/1113142301.db2.gz NFGVAJLGMKAEGI-QDSKXPNFSA-N 1 3 365.565 4.098 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000481947677 1113142431 /nfs/dbraw/zinc/14/24/31/1113142431.db2.gz NFGVAJLGMKAEGI-ZTCOLXNVSA-N 1 3 365.565 4.098 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000481947674 1113142513 /nfs/dbraw/zinc/14/25/13/1113142513.db2.gz NFGVAJLGMKAEGI-HUVFLSCGSA-N 1 3 365.565 4.098 20 0 FIADHO c1csc(C[N@H+]2CCC[C@@H](CN[C@H]3CCCOc4ccccc43)C2)c1 ZINC000482131242 1113184563 /nfs/dbraw/zinc/18/45/63/1113184563.db2.gz WWAVYYGBNOUZGL-PXNSSMCTSA-N 1 3 356.535 4.464 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@@H](CN[C@H]3CCCOc4ccccc43)C2)c1 ZINC000482131242 1113184566 /nfs/dbraw/zinc/18/45/66/1113184566.db2.gz WWAVYYGBNOUZGL-PXNSSMCTSA-N 1 3 356.535 4.464 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441434 1113257403 /nfs/dbraw/zinc/25/74/03/1113257403.db2.gz VBGJVNANOBGTBG-IFMALSPDSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441434 1113257408 /nfs/dbraw/zinc/25/74/08/1113257408.db2.gz VBGJVNANOBGTBG-IFMALSPDSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441434 1113257409 /nfs/dbraw/zinc/25/74/09/1113257409.db2.gz VBGJVNANOBGTBG-IFMALSPDSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000162932667 1113258262 /nfs/dbraw/zinc/25/82/62/1113258262.db2.gz FHHCQUAQUNPMTO-KRWDZBQOSA-N 1 3 355.501 4.338 20 0 FIADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482445204 1113259075 /nfs/dbraw/zinc/25/90/75/1113259075.db2.gz AQDWNMJARJFAAJ-CTNGQTDRSA-N 1 3 352.522 4.301 20 0 FIADHO COc1ccc([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)c2ccccc12 ZINC000482555394 1113298427 /nfs/dbraw/zinc/29/84/27/1113298427.db2.gz LSUMKHDUCDHDNH-GOSISDBHSA-N 1 3 368.521 4.144 20 0 FIADHO C[NH+](C)CCCCN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000490151165 1114218868 /nfs/dbraw/zinc/21/88/68/1114218868.db2.gz POUPIAIDKCLTKQ-NRFANRHFSA-N 1 3 374.912 4.132 20 0 FIADHO Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CCN(C3CCC3)CC1)CO2 ZINC000588178646 1114549704 /nfs/dbraw/zinc/54/97/04/1114549704.db2.gz IGKFTHYTSSGFTI-UHFFFAOYSA-N 1 3 367.320 4.376 20 0 FIADHO OC1(c2ccccc2)CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000760908669 1115170289 /nfs/dbraw/zinc/17/02/89/1115170289.db2.gz QGMDPNNNJJFXSG-UHFFFAOYSA-N 1 3 356.554 4.204 20 0 FIADHO CSC1(CN[C@H](C)c2ccc(-c3ccccc3)cn2)CC[NH+](C)CC1 ZINC000593630417 1115336578 /nfs/dbraw/zinc/33/65/78/1115336578.db2.gz NQNIZEBQJMAPJG-QGZVFWFLSA-N 1 3 355.551 4.227 20 0 FIADHO CN1CC[C@H]([NH2+][C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982733 1115775256 /nfs/dbraw/zinc/77/52/56/1115775256.db2.gz YRRRQVYFWIHYPG-KFKAGJAMSA-N 1 3 358.526 4.019 20 0 FIADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000669703971 1115831437 /nfs/dbraw/zinc/83/14/37/1115831437.db2.gz ZUTIUHNIKAXKHO-XZCBWCRCSA-N 1 3 356.554 4.082 20 0 FIADHO CCOc1ccccc1OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608492362 1116112127 /nfs/dbraw/zinc/11/21/27/1116112127.db2.gz VFDLMQMOUIYVEL-UHFFFAOYSA-N 1 3 360.542 4.052 20 0 FIADHO CCCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000539838254 1116386488 /nfs/dbraw/zinc/38/64/88/1116386488.db2.gz MWFBAKPKUZTLLJ-NVXWUHKLSA-N 1 3 368.949 4.442 20 0 FIADHO CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000539838254 1116386489 /nfs/dbraw/zinc/38/64/89/1116386489.db2.gz MWFBAKPKUZTLLJ-NVXWUHKLSA-N 1 3 368.949 4.442 20 0 FIADHO Cc1nc2ccc(Br)cc2c(NC2CC[NH+](C3CC3)CC2)c1C ZINC000462919817 1117852638 /nfs/dbraw/zinc/85/26/38/1117852638.db2.gz NTRWHPUIBPJYJQ-UHFFFAOYSA-N 1 3 374.326 4.075 20 0 FIADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000540172692 1117913436 /nfs/dbraw/zinc/91/34/36/1117913436.db2.gz SBTCVUCLFZKZSR-BQFCYCMXSA-N 1 3 370.484 4.218 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259521 1117961759 /nfs/dbraw/zinc/96/17/59/1117961759.db2.gz WIRZALDCGGUYHY-JKSUJKDBSA-N 1 3 362.949 4.389 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000540259521 1117961762 /nfs/dbraw/zinc/96/17/62/1117961762.db2.gz WIRZALDCGGUYHY-JKSUJKDBSA-N 1 3 362.949 4.389 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137206 1117985900 /nfs/dbraw/zinc/98/59/00/1117985900.db2.gz JHCMIMMOQCVWNX-WMZHIEFXSA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463137206 1117985904 /nfs/dbraw/zinc/98/59/04/1117985904.db2.gz JHCMIMMOQCVWNX-WMZHIEFXSA-N 1 3 352.522 4.366 20 0 FIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000540354100 1117998166 /nfs/dbraw/zinc/99/81/66/1117998166.db2.gz LETHXBGDORHPLX-WIYYLYMNSA-N 1 3 353.510 4.186 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208937 1118022744 /nfs/dbraw/zinc/02/27/44/1118022744.db2.gz ZSWMGKOWXJBBCI-JLMWRMLUSA-N 1 3 350.506 4.325 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463208937 1118022748 /nfs/dbraw/zinc/02/27/48/1118022748.db2.gz ZSWMGKOWXJBBCI-JLMWRMLUSA-N 1 3 350.506 4.325 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)C1 ZINC000540409276 1118037912 /nfs/dbraw/zinc/03/79/12/1118037912.db2.gz UZFOLHSJSAKFIN-XNJGSVPQSA-N 1 3 369.372 4.163 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O2 ZINC000540491577 1118091055 /nfs/dbraw/zinc/09/10/55/1118091055.db2.gz FBPASDMLHHWQHO-BVSLBCMMSA-N 1 3 362.517 4.195 20 0 FIADHO c1cnc2c(c1)cccc2OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000540985154 1118338150 /nfs/dbraw/zinc/33/81/50/1118338150.db2.gz FXSPPOHNAVPFAF-UHFFFAOYSA-N 1 3 367.537 4.390 20 0 FIADHO c1cnc2c(c1)cccc2OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000540985154 1118338155 /nfs/dbraw/zinc/33/81/55/1118338155.db2.gz FXSPPOHNAVPFAF-UHFFFAOYSA-N 1 3 367.537 4.390 20 0 FIADHO CN1CCN(CCCC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000541849108 1118669986 /nfs/dbraw/zinc/66/99/86/1118669986.db2.gz QPTQKLNCWGCLPY-NRFANRHFSA-N 1 3 357.542 4.137 20 0 FIADHO CC(C)N1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000542145770 1118807187 /nfs/dbraw/zinc/80/71/87/1118807187.db2.gz DXLQTOSQYTYWCG-OAQYLSRUSA-N 1 3 357.929 4.481 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852975 1118987351 /nfs/dbraw/zinc/98/73/51/1118987351.db2.gz PBFWUKMFNAOXBG-ZZTDLJEGSA-N 1 3 352.522 4.405 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852975 1118987353 /nfs/dbraw/zinc/98/73/53/1118987353.db2.gz PBFWUKMFNAOXBG-ZZTDLJEGSA-N 1 3 352.522 4.405 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000173329730 1119033357 /nfs/dbraw/zinc/03/33/57/1119033357.db2.gz JFKGKCIINAJESE-HNNXBMFYSA-N 1 3 366.427 4.497 20 0 FIADHO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311066296 1119356133 /nfs/dbraw/zinc/35/61/33/1119356133.db2.gz JKVJXSWGIMAYNZ-SJLPKXTDSA-N 1 3 357.567 4.441 20 0 FIADHO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000311072873 1119357156 /nfs/dbraw/zinc/35/71/56/1119357156.db2.gz KLIAHLOXIYVSHG-VQIMIIECSA-N 1 3 358.913 4.349 20 0 FIADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000178306990 1119383519 /nfs/dbraw/zinc/38/35/19/1119383519.db2.gz YMNUOOWDPNTARA-HSZRJFAPSA-N 1 3 364.533 4.156 20 0 FIADHO CC1(C)C[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000178306990 1119383526 /nfs/dbraw/zinc/38/35/26/1119383526.db2.gz YMNUOOWDPNTARA-HSZRJFAPSA-N 1 3 364.533 4.156 20 0 FIADHO CN(C)[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186569678 1119737071 /nfs/dbraw/zinc/73/70/71/1119737071.db2.gz PFKQSOBCAHENAI-GOSISDBHSA-N 1 3 371.491 4.161 20 0 FIADHO Cc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000189379122 1119889923 /nfs/dbraw/zinc/88/99/23/1119889923.db2.gz QKLOHHZCUTZXOK-DYESRHJHSA-N 1 3 354.494 4.110 20 0 FIADHO CC1CC[NH+](C2CCC(NCc3nc(-c4ccccc4)c[nH]3)CC2)CC1 ZINC000194394649 1120266455 /nfs/dbraw/zinc/26/64/55/1120266455.db2.gz KBIFWQUTYLYQKV-UHFFFAOYSA-N 1 3 352.526 4.209 20 0 FIADHO Cn1cc(-c2ccc(CN3CCC(C[NH+]4CCCCCC4)CC3)s2)cn1 ZINC000670262203 1121263558 /nfs/dbraw/zinc/26/35/58/1121263558.db2.gz DSNDNTIZBSUPQP-UHFFFAOYSA-N 1 3 372.582 4.237 20 0 FIADHO CCn1nc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000397975913 1121329160 /nfs/dbraw/zinc/32/91/60/1121329160.db2.gz KRCYHZZZQAQQDU-GHTZIAJQSA-N 1 3 362.521 4.056 20 0 FIADHO C[C@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)CN1CCCC1 ZINC000062078469 1121596349 /nfs/dbraw/zinc/59/63/49/1121596349.db2.gz BUBHXJOPBRDJSM-MXWWQKGMSA-N 1 3 351.332 4.017 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3cc(Br)ccc32)c1 ZINC000123603494 1121617533 /nfs/dbraw/zinc/61/75/33/1121617533.db2.gz PSKWUAUNVQRAAS-IBGZPJMESA-N 1 3 359.311 4.288 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000123934010 1121646482 /nfs/dbraw/zinc/64/64/82/1121646482.db2.gz FGBGARIWPOEPBS-QGZVFWFLSA-N 1 3 354.494 4.150 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000123934010 1121646484 /nfs/dbraw/zinc/64/64/84/1121646484.db2.gz FGBGARIWPOEPBS-QGZVFWFLSA-N 1 3 354.494 4.150 20 0 FIADHO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000671754079 1121753983 /nfs/dbraw/zinc/75/39/83/1121753983.db2.gz QLGLYCARKRWYNY-KMDXXIMOSA-N 1 3 363.549 4.213 20 0 FIADHO Brc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)s1 ZINC000671764913 1121814634 /nfs/dbraw/zinc/81/46/34/1121814634.db2.gz UYKYVFXNUGVICK-UONOGXRCSA-N 1 3 369.372 4.149 20 0 FIADHO Brc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)s1 ZINC000671764913 1121814644 /nfs/dbraw/zinc/81/46/44/1121814644.db2.gz UYKYVFXNUGVICK-UONOGXRCSA-N 1 3 369.372 4.149 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235277 1123342698 /nfs/dbraw/zinc/34/26/98/1123342698.db2.gz PYZPTCJQGFDWIY-WJMWBRGCSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235277 1123342702 /nfs/dbraw/zinc/34/27/02/1123342702.db2.gz PYZPTCJQGFDWIY-WJMWBRGCSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(-c3ccccc3)cs2)C[C@@H](C)O1 ZINC000237404012 1123627388 /nfs/dbraw/zinc/62/73/88/1123627388.db2.gz DXMUMCUGESPYOS-QZTJIDSGSA-N 1 3 358.551 4.394 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000765881160 1124326419 /nfs/dbraw/zinc/32/64/19/1124326419.db2.gz NMYMKODQZMAEFV-UKDVSSAZSA-N 1 3 374.528 4.373 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000765881160 1124326424 /nfs/dbraw/zinc/32/64/24/1124326424.db2.gz NMYMKODQZMAEFV-UKDVSSAZSA-N 1 3 374.528 4.373 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168099 1124747794 /nfs/dbraw/zinc/74/77/94/1124747794.db2.gz UEIYTYBLMQVZPX-LUQKVYGDSA-N 1 3 372.534 4.253 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000248168099 1124747797 /nfs/dbraw/zinc/74/77/97/1124747797.db2.gz UEIYTYBLMQVZPX-LUQKVYGDSA-N 1 3 372.534 4.253 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000249117073 1124845276 /nfs/dbraw/zinc/84/52/76/1124845276.db2.gz SMNVHPMCUHJNRA-SJORKVTESA-N 1 3 356.407 4.093 20 0 FIADHO Fc1cc(C(F)(F)F)cc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000249117073 1124845288 /nfs/dbraw/zinc/84/52/88/1124845288.db2.gz SMNVHPMCUHJNRA-SJORKVTESA-N 1 3 356.407 4.093 20 0 FIADHO C[C@H](c1ccc(Cl)cc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000251535553 1125004227 /nfs/dbraw/zinc/00/42/27/1125004227.db2.gz BBUSTTIOUWKNMR-BRWVUGGUSA-N 1 3 350.934 4.222 20 0 FIADHO CC(C)Sc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936987 1125027890 /nfs/dbraw/zinc/02/78/90/1125027890.db2.gz UHWLLSSNRRGOGH-KRWDZBQOSA-N 1 3 373.566 4.373 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc1OC ZINC000182285300 1125321621 /nfs/dbraw/zinc/32/16/21/1125321621.db2.gz YKPZUTVBPOAWMG-IIBYNOLFSA-N 1 3 374.500 4.060 20 0 FIADHO CCCCC/C(=C\c1ccccc1)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602278696 567962721 /nfs/dbraw/zinc/96/27/21/567962721.db2.gz YDFYQMURUWZTKU-OILDRBDJSA-N 1 3 369.597 4.408 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(OC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237574547 1080975587 /nfs/dbraw/zinc/97/55/87/1080975587.db2.gz JCGOLNRAIJXZIA-APWZRJJASA-N 1 3 360.448 4.431 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(OC(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237574547 1080975591 /nfs/dbraw/zinc/97/55/91/1080975591.db2.gz JCGOLNRAIJXZIA-APWZRJJASA-N 1 3 360.448 4.431 20 0 FIADHO C[C@H]1CCCC[C@H]1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC001648830264 1081267708 /nfs/dbraw/zinc/26/77/08/1081267708.db2.gz NGAQJSWSWHNSGT-GMAHTHKFSA-N 1 3 357.586 4.000 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000471601585 1082042302 /nfs/dbraw/zinc/04/23/02/1082042302.db2.gz JURLHZKSXPNEPE-FUKQBSRTSA-N 1 3 357.586 4.311 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312974719 1082109409 /nfs/dbraw/zinc/10/94/09/1082109409.db2.gz KSVRTPXZODJCHA-NJNPRVFISA-N 1 3 365.521 4.206 20 0 FIADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1Cc1scnc1C1CC1 ZINC000581429538 1082572598 /nfs/dbraw/zinc/57/25/98/1082572598.db2.gz PQYOHUZEVONNKQ-RTBURBONSA-N 1 3 355.551 4.193 20 0 FIADHO Fc1cc(-c2ccncc2)ccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787514 1082771687 /nfs/dbraw/zinc/77/16/87/1082771687.db2.gz ZWKSHGQZGQNMBC-FQEVSTJZSA-N 1 3 353.485 4.099 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000581876804 1082948613 /nfs/dbraw/zinc/94/86/13/1082948613.db2.gz VSWDNABGDSPHJG-HXUWFJFHSA-N 1 3 356.485 4.453 20 0 FIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510733602 1083282780 /nfs/dbraw/zinc/28/27/80/1083282780.db2.gz LWRIISGVVLUGAF-GOSISDBHSA-N 1 3 351.332 4.146 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320351 1083408597 /nfs/dbraw/zinc/40/85/97/1083408597.db2.gz SPAGBBHRCUASOG-WMZHIEFXSA-N 1 3 364.533 4.132 20 0 FIADHO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320351 1083408601 /nfs/dbraw/zinc/40/86/01/1083408601.db2.gz SPAGBBHRCUASOG-WMZHIEFXSA-N 1 3 364.533 4.132 20 0 FIADHO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320351 1083408608 /nfs/dbraw/zinc/40/86/08/1083408608.db2.gz SPAGBBHRCUASOG-WMZHIEFXSA-N 1 3 364.533 4.132 20 0 FIADHO c1[nH]nc2c1cccc2C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000535808494 1083694345 /nfs/dbraw/zinc/69/43/45/1083694345.db2.gz IKYBXVNTYPRJTK-IFMALSPDSA-N 1 3 360.505 4.049 20 0 FIADHO c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000535808494 1083694349 /nfs/dbraw/zinc/69/43/49/1083694349.db2.gz IKYBXVNTYPRJTK-IFMALSPDSA-N 1 3 360.505 4.049 20 0 FIADHO CC(C)N1CCN(C2CC[NH+](CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000685839624 1084317970 /nfs/dbraw/zinc/31/79/70/1084317970.db2.gz UVJMXMZVSCVLIM-UHFFFAOYSA-N 1 3 371.613 4.017 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cc2n(n1)CCC2 ZINC000414108953 1084578163 /nfs/dbraw/zinc/57/81/63/1084578163.db2.gz GSTHIOVKBIXIRM-INIZCTEOSA-N 1 3 372.944 4.046 20 0 FIADHO CC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000414300385 1084991322 /nfs/dbraw/zinc/99/13/22/1084991322.db2.gz IUANONVUJBYFQI-NRFANRHFSA-N 1 3 374.475 4.033 20 0 FIADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cccc(C3CCCC3)c2)C1 ZINC000657431178 1085011015 /nfs/dbraw/zinc/01/10/15/1085011015.db2.gz YAJJEAYNPUURIE-DEOSSOPVSA-N 1 3 364.533 4.201 20 0 FIADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc(C3CCCC3)c2)C1 ZINC000657431178 1085011024 /nfs/dbraw/zinc/01/10/24/1085011024.db2.gz YAJJEAYNPUURIE-DEOSSOPVSA-N 1 3 364.533 4.201 20 0 FIADHO CC[N@H+](CCCN(C)C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000582448217 1085017692 /nfs/dbraw/zinc/01/76/92/1085017692.db2.gz WJMMMBZKEMVOBD-UHFFFAOYSA-N 1 3 372.557 4.087 20 0 FIADHO CC[N@@H+](CCCN(C)C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000582448217 1085017698 /nfs/dbraw/zinc/01/76/98/1085017698.db2.gz WJMMMBZKEMVOBD-UHFFFAOYSA-N 1 3 372.557 4.087 20 0 FIADHO CCc1ccc([C@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000472584595 1085047258 /nfs/dbraw/zinc/04/72/58/1085047258.db2.gz VLJUMWKWDZFUDS-OAQYLSRUSA-N 1 3 361.574 4.175 20 0 FIADHO CCc1ccc([C@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000472584595 1085047261 /nfs/dbraw/zinc/04/72/61/1085047261.db2.gz VLJUMWKWDZFUDS-OAQYLSRUSA-N 1 3 361.574 4.175 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237351117 1085404404 /nfs/dbraw/zinc/40/44/04/1085404404.db2.gz XJBCYXNBYOJVKQ-DYESRHJHSA-N 1 3 351.494 4.090 20 0 FIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237351117 1085404412 /nfs/dbraw/zinc/40/44/12/1085404412.db2.gz XJBCYXNBYOJVKQ-DYESRHJHSA-N 1 3 351.494 4.090 20 0 FIADHO Cc1nc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2s1 ZINC000657612933 1085691095 /nfs/dbraw/zinc/69/10/95/1085691095.db2.gz FUIOURIERCHCOC-UHFFFAOYSA-N 1 3 366.534 4.002 20 0 FIADHO CC(C)(CO)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000090657612 1085871519 /nfs/dbraw/zinc/87/15/19/1085871519.db2.gz RVSCKBMJCHEBJW-QFIPXVFZSA-N 1 3 358.570 4.175 20 0 FIADHO CSC1(CN[C@@H](c2ccccc2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582875249 1085873952 /nfs/dbraw/zinc/87/39/52/1085873952.db2.gz PGACLJSAFUSDRV-FQEVSTJZSA-N 1 3 358.526 4.332 20 0 FIADHO c1ccc(Oc2cccnc2)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662293928 1086398397 /nfs/dbraw/zinc/39/83/97/1086398397.db2.gz VGFOIXUAYUOBGO-IBGZPJMESA-N 1 3 351.494 4.086 20 0 FIADHO CC(C)c1cccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000663318816 1086405539 /nfs/dbraw/zinc/40/55/39/1086405539.db2.gz NRWVBIMCFHUMRU-UHFFFAOYSA-N 1 3 352.522 4.057 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccc(F)c(F)c1 ZINC000511993389 1086599754 /nfs/dbraw/zinc/59/97/54/1086599754.db2.gz XIMQYFAOZPKLHL-IRYQMKRQSA-N 1 3 356.460 4.478 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccc(F)c(F)c1 ZINC000511993389 1086599759 /nfs/dbraw/zinc/59/97/59/1086599759.db2.gz XIMQYFAOZPKLHL-IRYQMKRQSA-N 1 3 356.460 4.478 20 0 FIADHO CCc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000512021471 1086656391 /nfs/dbraw/zinc/65/63/91/1086656391.db2.gz CSQDPUDXTCUDKU-UHFFFAOYSA-N 1 3 357.929 4.299 20 0 FIADHO COc1cccc(OC)c1CNCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512044828 1086699789 /nfs/dbraw/zinc/69/97/89/1086699789.db2.gz ICOXYVGPPOBXJR-UYAOXDASSA-N 1 3 368.521 4.094 20 0 FIADHO COc1cccc(OC)c1CNCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512044828 1086699797 /nfs/dbraw/zinc/69/97/97/1086699797.db2.gz ICOXYVGPPOBXJR-UYAOXDASSA-N 1 3 368.521 4.094 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425026 1086750021 /nfs/dbraw/zinc/75/00/21/1086750021.db2.gz SPUDTVTZEZPAMZ-UZLBHIALSA-N 1 3 350.934 4.272 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425026 1086750023 /nfs/dbraw/zinc/75/00/23/1086750023.db2.gz SPUDTVTZEZPAMZ-UZLBHIALSA-N 1 3 350.934 4.272 20 0 FIADHO c1c2cccnc2oc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657774403 1086849828 /nfs/dbraw/zinc/84/98/28/1086849828.db2.gz YPWFMWURUSJDSO-HXUWFJFHSA-N 1 3 361.489 4.220 20 0 FIADHO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000583663668 1086907095 /nfs/dbraw/zinc/90/70/95/1086907095.db2.gz QEXOWUIFHAMUMQ-IFMALSPDSA-N 1 3 368.569 4.287 20 0 FIADHO c1cc2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2s1 ZINC000650741071 1086916137 /nfs/dbraw/zinc/91/61/37/1086916137.db2.gz XFOGQYLMWBGZAI-GHTZIAJQSA-N 1 3 350.487 4.247 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657877043 1087521257 /nfs/dbraw/zinc/52/12/57/1087521257.db2.gz BGHOJWKYOZOKSD-SFHVURJKSA-N 1 3 352.975 4.427 20 0 FIADHO CCOC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000657970522 1087683095 /nfs/dbraw/zinc/68/30/95/1087683095.db2.gz FNEOXJNFXCLEER-VXGVFTFCSA-N 1 3 356.554 4.224 20 0 FIADHO C[C@H]1CC2(CN1Cc1nc(-c3ccccc3Cl)cs1)CC[NH2+]CC2 ZINC000424289660 1087899896 /nfs/dbraw/zinc/89/98/96/1087899896.db2.gz MGIFNTTVDXABLZ-AWEZNQCLSA-N 1 3 361.942 4.428 20 0 FIADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1nccs1 ZINC000186727199 1087972969 /nfs/dbraw/zinc/97/29/69/1087972969.db2.gz XBKCRDIMYFWTBY-BTHPGYMESA-N 1 3 355.551 4.137 20 0 FIADHO Fc1ccc(-c2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000647542687 1088012345 /nfs/dbraw/zinc/01/23/45/1088012345.db2.gz ABBYVYMHAKRSCF-IRXDYDNUSA-N 1 3 359.514 4.161 20 0 FIADHO CCCOc1c(Cl)cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414813584 1088213851 /nfs/dbraw/zinc/21/38/51/1088213851.db2.gz UAVKVYWTBXLPMY-AWEZNQCLSA-N 1 3 362.901 4.447 20 0 FIADHO C[C@H]([NH3+])c1ccc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000414812125 1088220082 /nfs/dbraw/zinc/22/00/82/1088220082.db2.gz KKYYGEQFYKONGH-ZDUSSCGKSA-N 1 3 374.410 4.405 20 0 FIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000414813233 1088230148 /nfs/dbraw/zinc/23/01/48/1088230148.db2.gz SWODHYQIIRMFNJ-LBPRGKRZSA-N 1 3 356.363 4.076 20 0 FIADHO CCCC[C@H](CN)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414814863 1088239407 /nfs/dbraw/zinc/23/94/07/1088239407.db2.gz OGXSSHBLARKCTI-QGZVFWFLSA-N 1 3 359.901 4.199 20 0 FIADHO COc1ccc(Br)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415056640 1089102715 /nfs/dbraw/zinc/10/27/15/1089102715.db2.gz QARLIRMHKRWUJN-KRWDZBQOSA-N 1 3 363.299 4.028 20 0 FIADHO Cc1cc(Br)ccc1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415090491 1089143836 /nfs/dbraw/zinc/14/38/36/1089143836.db2.gz OZTYXCHRWYLRJZ-RTBURBONSA-N 1 3 359.311 4.340 20 0 FIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415093547 1089157885 /nfs/dbraw/zinc/15/78/85/1089157885.db2.gz VQZAIBHIQZDOMP-KQLYMOGASA-N 1 3 358.913 4.499 20 0 FIADHO CC(C)C[C@H]([NH3+])CNCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415093245 1089158234 /nfs/dbraw/zinc/15/82/34/1089158234.db2.gz UVZIGJYOXAMJGP-HNNXBMFYSA-N 1 3 359.341 4.005 20 0 FIADHO Cc1ccc(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000505605583 1089293620 /nfs/dbraw/zinc/29/36/20/1089293620.db2.gz DHUCHLDGCFFERX-UHFFFAOYSA-N 1 3 351.538 4.157 20 0 FIADHO CO[C@H](CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000549392953 1090017916 /nfs/dbraw/zinc/01/79/16/1090017916.db2.gz FUBBJGNKRPTJHF-CNNODRBYSA-N 1 3 352.522 4.120 20 0 FIADHO CCC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccccn1 ZINC000179464965 1090070838 /nfs/dbraw/zinc/07/08/38/1090070838.db2.gz XIFKRVSJLINKCC-JOCHJYFZSA-N 1 3 366.553 4.115 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000182376717 1090349024 /nfs/dbraw/zinc/34/90/24/1090349024.db2.gz QSEHEKCIXZMVOZ-ACJLOTCBSA-N 1 3 352.494 4.453 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376717 1090349030 /nfs/dbraw/zinc/34/90/30/1090349030.db2.gz QSEHEKCIXZMVOZ-ACJLOTCBSA-N 1 3 352.494 4.453 20 0 FIADHO c1ccc(C[N@H+]2CCC3(C2)CCN(Cc2cnc4ccccc4n2)CC3)cc1 ZINC000660149243 1090649132 /nfs/dbraw/zinc/64/91/32/1090649132.db2.gz HFJVAEXADDMBGT-UHFFFAOYSA-N 1 3 372.516 4.118 20 0 FIADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2cnc4ccccc4n2)CC3)cc1 ZINC000660149243 1090649143 /nfs/dbraw/zinc/64/91/43/1090649143.db2.gz HFJVAEXADDMBGT-UHFFFAOYSA-N 1 3 372.516 4.118 20 0 FIADHO C[C@@H]1CC([NH2+]Cc2ccccc2N(C)C)C[C@@H](C)N1Cc1ccccc1 ZINC001168011902 1092302084 /nfs/dbraw/zinc/30/20/84/1092302084.db2.gz UFVBHDQYMSMFSU-RTBURBONSA-N 1 3 351.538 4.284 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2c(F)cccc2N2CCCC2)C1 ZINC000521818492 1092935811 /nfs/dbraw/zinc/93/58/11/1092935811.db2.gz UAYOJBDVMQYGBC-RTBURBONSA-N 1 3 361.549 4.274 20 0 FIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(Br)cc1F ZINC000521816801 1092935899 /nfs/dbraw/zinc/93/58/99/1092935899.db2.gz ITIXRTDTMNNSKY-AWEZNQCLSA-N 1 3 357.311 4.332 20 0 FIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(Br)cc1F ZINC000521816801 1092935903 /nfs/dbraw/zinc/93/59/03/1092935903.db2.gz ITIXRTDTMNNSKY-AWEZNQCLSA-N 1 3 357.311 4.332 20 0 FIADHO CC[NH+]1CCC(CCNCc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000236915853 1092942718 /nfs/dbraw/zinc/94/27/18/1092942718.db2.gz YEPLJBFUPHKUOP-UHFFFAOYSA-N 1 3 374.960 4.105 20 0 FIADHO Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC000512614121 1092992771 /nfs/dbraw/zinc/99/27/71/1092992771.db2.gz UXGIGPGNHMPXGI-PCCBWWKXSA-N 1 3 369.578 4.193 20 0 FIADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000512659447 1093095531 /nfs/dbraw/zinc/09/55/31/1093095531.db2.gz HATYFYVYOVJUAI-BHIFYINESA-N 1 3 356.554 4.084 20 0 FIADHO C[C@H](CCN1CCC[C@]2(CCSC2)C1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160573 /nfs/dbraw/zinc/16/05/73/1093160573.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CCN1CCC[C@]2(CCSC2)C1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160580 /nfs/dbraw/zinc/16/05/80/1093160580.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@@H+]1CCC[C@]2(CCSC2)C1)N1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160586 /nfs/dbraw/zinc/16/05/86/1093160586.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@H+]1CCC[C@]2(CCSC2)C1)N1CCC[C@]2(CCSC2)C1 ZINC000451963975 1093160593 /nfs/dbraw/zinc/16/05/93/1093160593.db2.gz IJUJKIBKINCSLS-AABGKKOBSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CCN1CCC[C@@]2(CCSC2)C1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162012 /nfs/dbraw/zinc/16/20/12/1093162012.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CCN1CCC[C@@]2(CCSC2)C1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162015 /nfs/dbraw/zinc/16/20/15/1093162015.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162020 /nfs/dbraw/zinc/16/20/20/1093162020.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@H+]1CCC[C@@]2(CCSC2)C1)N1CCC[C@@]2(CCSC2)C1 ZINC000451963985 1093162022 /nfs/dbraw/zinc/16/20/22/1093162022.db2.gz IJUJKIBKINCSLS-VAMGGRTRSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168020208 1093201786 /nfs/dbraw/zinc/20/17/86/1093201786.db2.gz LJSFXNJUKPNKCN-PWRODBHTSA-N 1 3 357.586 4.138 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@H]2COCc3ccccc32)C[C@H](C)N1Cc1ccccc1 ZINC001168025871 1093442349 /nfs/dbraw/zinc/44/23/49/1093442349.db2.gz KDZWUWICMYUGNL-OXHIVJRSSA-N 1 3 350.506 4.289 20 0 FIADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000389141372 1093454178 /nfs/dbraw/zinc/45/41/78/1093454178.db2.gz VHIMAEBOXPJVON-QKLQHJQFSA-N 1 3 356.485 4.396 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cccc3c2cnn3C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168031839 1093655835 /nfs/dbraw/zinc/65/58/35/1093655835.db2.gz CPOCSKFDUXWLLJ-RMFSNUHRSA-N 1 3 362.521 4.105 20 0 FIADHO C[C@@H]1C[C@@H](NCc2cccc3c2cnn3C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031839 1093655840 /nfs/dbraw/zinc/65/58/40/1093655840.db2.gz CPOCSKFDUXWLLJ-RMFSNUHRSA-N 1 3 362.521 4.105 20 0 FIADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433405915 1093672682 /nfs/dbraw/zinc/67/26/82/1093672682.db2.gz JZLNWXLYXWBGJH-SJLPKXTDSA-N 1 3 366.521 4.012 20 0 FIADHO CN(CCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513144597 1093902227 /nfs/dbraw/zinc/90/22/27/1093902227.db2.gz MFPRWIKYXOKJLE-SJPCQFCGSA-N 1 3 356.432 4.031 20 0 FIADHO CN(CCCOc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513144597 1093902230 /nfs/dbraw/zinc/90/22/30/1093902230.db2.gz MFPRWIKYXOKJLE-SJPCQFCGSA-N 1 3 356.432 4.031 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000474596999 1094376452 /nfs/dbraw/zinc/37/64/52/1094376452.db2.gz IHBMSHGEOMAMJQ-ZJPYXAASSA-N 1 3 352.950 4.311 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C[C@H](C)N1Cc1ccccc1 ZINC001168040208 1094497484 /nfs/dbraw/zinc/49/74/84/1094497484.db2.gz KZSIOIHMLYFVHV-ZRAXVTTISA-N 1 3 350.506 4.411 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467295236 1094580353 /nfs/dbraw/zinc/58/03/53/1094580353.db2.gz KXOXHLXYNPVNLX-OAQYLSRUSA-N 1 3 363.977 4.189 20 0 FIADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccccc3Oc3ccccc3)CC2)C1 ZINC000420386643 1094907117 /nfs/dbraw/zinc/90/71/17/1094907117.db2.gz JBPMWPQZQLCKKH-OFNKIYASSA-N 1 3 366.505 4.197 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1OC ZINC000474923470 1094924226 /nfs/dbraw/zinc/92/42/26/1094924226.db2.gz GABBJTKOLCPADY-LXZJYRNTSA-N 1 3 374.569 4.438 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000522799479 1095690436 /nfs/dbraw/zinc/69/04/36/1095690436.db2.gz DSWPFAVZROZDKE-PCCBWWKXSA-N 1 3 365.565 4.391 20 0 FIADHO OC1CC[NH+](Cc2ccccc2CN[C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271749980 1096124673 /nfs/dbraw/zinc/12/46/73/1096124673.db2.gz RNFDPQIXRCJRIB-HSZRJFAPSA-N 1 3 368.496 4.023 20 0 FIADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271749980 1096124680 /nfs/dbraw/zinc/12/46/80/1096124680.db2.gz RNFDPQIXRCJRIB-HSZRJFAPSA-N 1 3 368.496 4.023 20 0 FIADHO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000469200296 1096301144 /nfs/dbraw/zinc/30/11/44/1096301144.db2.gz UBFIRMZXOIHDJL-LVCYWYKZSA-N 1 3 354.542 4.334 20 0 FIADHO NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710858 1096459551 /nfs/dbraw/zinc/45/95/51/1096459551.db2.gz GGPSXIGDVIRGDC-URXFXBBRSA-N 1 3 374.532 4.206 20 0 FIADHO CSc1cccc([C@H](N[C@@H](C)CCC[NH3+])c2cc(F)ccc2F)c1 ZINC000422785351 1096489843 /nfs/dbraw/zinc/48/98/43/1096489843.db2.gz JKTBDKCVVVSARW-DJJJIMSYSA-N 1 3 350.478 4.493 20 0 FIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837273 1096503008 /nfs/dbraw/zinc/50/30/08/1096503008.db2.gz LTHQNIJTJFIRCT-OYGALRCHSA-N 1 3 366.480 4.295 20 0 FIADHO COC[C@H](CCC[NH3+])N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422880931 1096510921 /nfs/dbraw/zinc/51/09/21/1096510921.db2.gz XVDNKVNBKKXYNA-WBMJQRKESA-N 1 3 367.946 4.176 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422874671 1096518426 /nfs/dbraw/zinc/51/84/26/1096518426.db2.gz OCMXHEFAWNIHSZ-ZIAGYGMSSA-N 1 3 357.473 4.188 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422900887 1096519717 /nfs/dbraw/zinc/51/97/17/1096519717.db2.gz KGCOVIXZNHIREX-STQMWFEESA-N 1 3 367.415 4.202 20 0 FIADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422909867 1096521551 /nfs/dbraw/zinc/52/15/51/1096521551.db2.gz PDDMTAIKFKDGEP-NTKDMRAZSA-N 1 3 374.532 4.076 20 0 FIADHO Cc1sc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422925646 1096525845 /nfs/dbraw/zinc/52/58/45/1096525845.db2.gz BWXIMSLTHBKBPX-OTWHNJEPSA-N 1 3 355.551 4.171 20 0 FIADHO COc1cc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OCC(C)C ZINC000422944545 1096535746 /nfs/dbraw/zinc/53/57/46/1096535746.db2.gz SHEJUIZVAYDVHR-JKSUJKDBSA-N 1 3 371.525 4.304 20 0 FIADHO Cc1cc([C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)ccc1F ZINC000423009855 1096549395 /nfs/dbraw/zinc/54/93/95/1096549395.db2.gz FEQPAABCBBNGHC-MDNUFGMLSA-N 1 3 366.480 4.431 20 0 FIADHO Cc1cc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)ccc1F ZINC000423009856 1096549606 /nfs/dbraw/zinc/54/96/06/1096549606.db2.gz FEQPAABCBBNGHC-MZYLBHOOSA-N 1 3 366.480 4.431 20 0 FIADHO Clc1ccc([C@@H]2OCC[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000423020004 1096551024 /nfs/dbraw/zinc/55/10/24/1096551024.db2.gz YFSTUJDAIZHCMN-ANULTFPQSA-N 1 3 356.897 4.253 20 0 FIADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422996186 1096553045 /nfs/dbraw/zinc/55/30/45/1096553045.db2.gz LFCSECNWNIJUSM-RBDMOPTHSA-N 1 3 353.510 4.198 20 0 FIADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423037183 1096556040 /nfs/dbraw/zinc/55/60/40/1096556040.db2.gz VQAQDCQFIBICNQ-RPLLJCPNSA-N 1 3 355.929 4.108 20 0 FIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc(-c2cccnc2)c1 ZINC000423052645 1096565604 /nfs/dbraw/zinc/56/56/04/1096565604.db2.gz RAQXKMJRFXFQRT-LADGPHEKSA-N 1 3 371.484 4.094 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423077653 1096566144 /nfs/dbraw/zinc/56/61/44/1096566144.db2.gz MNTXFWXNKUDGLF-AWEZNQCLSA-N 1 3 359.464 4.290 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423097829 1096574128 /nfs/dbraw/zinc/57/41/28/1096574128.db2.gz RGNSIOOXNGPJLL-DDUZABMNSA-N 1 3 363.427 4.464 20 0 FIADHO CC(F)(F)c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423125797 1096580036 /nfs/dbraw/zinc/58/00/36/1096580036.db2.gz AHMZEZJELVKRQY-GHTZIAJQSA-N 1 3 358.432 4.144 20 0 FIADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423104016 1096582113 /nfs/dbraw/zinc/58/21/13/1096582113.db2.gz PMUDPNVXMUEXIA-BRWVUGGUSA-N 1 3 364.942 4.110 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000423166334 1096600084 /nfs/dbraw/zinc/60/00/84/1096600084.db2.gz VNENSDVNPRYBEE-HNNXBMFYSA-N 1 3 359.464 4.143 20 0 FIADHO COCCC[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(Br)cc1 ZINC000423180409 1096606770 /nfs/dbraw/zinc/60/67/70/1096606770.db2.gz NNYLLUQZSGPPLQ-QGZVFWFLSA-N 1 3 369.347 4.168 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000423290667 1096634905 /nfs/dbraw/zinc/63/49/05/1096634905.db2.gz DZHXIHVMAVMLGV-NEPJUHHUSA-N 1 3 351.263 4.459 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3sc(Br)cc32)cc1 ZINC000423293160 1096637379 /nfs/dbraw/zinc/63/73/79/1096637379.db2.gz QASAPGUGVSJZCA-IINYFYTJSA-N 1 3 351.313 4.307 20 0 FIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000423296214 1096644445 /nfs/dbraw/zinc/64/44/45/1096644445.db2.gz YPKWEABVQDPWPI-KPZWWZAWSA-N 1 3 350.384 4.382 20 0 FIADHO Brc1ccc([C@H](NCc2ccc3c(c2)C[NH2+]C3)C2CC2)s1 ZINC000423366643 1096658316 /nfs/dbraw/zinc/65/83/16/1096658316.db2.gz BXJJSPZBHXZLAV-QGZVFWFLSA-N 1 3 363.324 4.355 20 0 FIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423405444 1096672632 /nfs/dbraw/zinc/67/26/32/1096672632.db2.gz XZXKUKTVBWVTSX-HNNXBMFYSA-N 1 3 363.530 4.496 20 0 FIADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423445582 1096678149 /nfs/dbraw/zinc/67/81/49/1096678149.db2.gz YDJUVNPRWVDOBZ-SUMWQHHRSA-N 1 3 351.288 4.239 20 0 FIADHO Brc1ccc([C@H](NCCC[C@H]2CCC[NH2+]2)c2ccco2)cc1 ZINC000423470838 1096693195 /nfs/dbraw/zinc/69/31/95/1096693195.db2.gz DMKGCVHBEAZBEA-AEFFLSMTSA-N 1 3 363.299 4.253 20 0 FIADHO CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423510647 1096709781 /nfs/dbraw/zinc/70/97/81/1096709781.db2.gz MWIQKCVYYAVSFT-MSOLQXFVSA-N 1 3 370.493 4.212 20 0 FIADHO COC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423518081 1096711894 /nfs/dbraw/zinc/71/18/94/1096711894.db2.gz ZFXKQCBTQSGIQX-MOPGFXCFSA-N 1 3 366.427 4.463 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436228287 1098836133 /nfs/dbraw/zinc/83/61/33/1098836133.db2.gz AHWXWDYJQDARCA-UHFFFAOYSA-N 1 3 354.523 4.268 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436228287 1098836143 /nfs/dbraw/zinc/83/61/43/1098836143.db2.gz AHWXWDYJQDARCA-UHFFFAOYSA-N 1 3 354.523 4.268 20 0 FIADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000515702535 1098846461 /nfs/dbraw/zinc/84/64/61/1098846461.db2.gz NZVODVDQEJUBJE-HXUWFJFHSA-N 1 3 354.469 4.207 20 0 FIADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000436296606 1098910264 /nfs/dbraw/zinc/91/02/64/1098910264.db2.gz VFUZGRDKELLIDE-PXNSSMCTSA-N 1 3 360.542 4.022 20 0 FIADHO COc1ccc(C[C@H](C)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296606 1098910266 /nfs/dbraw/zinc/91/02/66/1098910266.db2.gz VFUZGRDKELLIDE-PXNSSMCTSA-N 1 3 360.542 4.022 20 0 FIADHO CCOCc1ccccc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694339 1099827016 /nfs/dbraw/zinc/82/70/16/1099827016.db2.gz CPYNMDKYTMWMRC-DENIHFKCSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694339 1099827024 /nfs/dbraw/zinc/82/70/24/1099827024.db2.gz CPYNMDKYTMWMRC-DENIHFKCSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508694339 1099827037 /nfs/dbraw/zinc/82/70/37/1099827037.db2.gz CPYNMDKYTMWMRC-DENIHFKCSA-N 1 3 352.522 4.223 20 0 FIADHO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508711771 1099904246 /nfs/dbraw/zinc/90/42/46/1099904246.db2.gz PDVKWNNWWQQBIQ-IEBWSBKVSA-N 1 3 369.578 4.065 20 0 FIADHO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508719423 1099909112 /nfs/dbraw/zinc/90/91/12/1099909112.db2.gz PMBGZVHOMMMZBP-PKOBYXMFSA-N 1 3 371.594 4.483 20 0 FIADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@@H](C)C1 ZINC000536859024 1100375122 /nfs/dbraw/zinc/37/51/22/1100375122.db2.gz RKPVRMUTVRQKAA-GHTZIAJQSA-N 1 3 368.521 4.094 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000536859468 1100376077 /nfs/dbraw/zinc/37/60/77/1100376077.db2.gz UYNXXYJSRUBJBP-XHSDSOJGSA-N 1 3 374.447 4.125 20 0 FIADHO CC[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909363 1101335267 /nfs/dbraw/zinc/33/52/67/1101335267.db2.gz LKYRQEVSIGAFSE-UXLLHSPISA-N 1 3 358.448 4.183 20 0 FIADHO CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909363 1101335283 /nfs/dbraw/zinc/33/52/83/1101335283.db2.gz LKYRQEVSIGAFSE-UXLLHSPISA-N 1 3 358.448 4.183 20 0 FIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000536947248 1101369559 /nfs/dbraw/zinc/36/95/59/1101369559.db2.gz PLUDHHQQZYVPRZ-INIZCTEOSA-N 1 3 362.949 4.389 20 0 FIADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013844 1101393338 /nfs/dbraw/zinc/39/33/38/1101393338.db2.gz SKVHNSHPAWIEIK-VSKRKVRLSA-N 1 3 360.517 4.024 20 0 FIADHO CC(C)[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000537012585 1101394674 /nfs/dbraw/zinc/39/46/74/1101394674.db2.gz XJSRFGSNIGZLAT-HXUWFJFHSA-N 1 3 361.917 4.162 20 0 FIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(Br)ccc1F ZINC000518765571 1101522604 /nfs/dbraw/zinc/52/26/04/1101522604.db2.gz NCSOIKXJYZAILS-CQSZACIVSA-N 1 3 357.311 4.332 20 0 FIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(Br)ccc1F ZINC000518765571 1101522615 /nfs/dbraw/zinc/52/26/15/1101522615.db2.gz NCSOIKXJYZAILS-CQSZACIVSA-N 1 3 357.311 4.332 20 0 FIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001168165822 1101762583 /nfs/dbraw/zinc/76/25/83/1101762583.db2.gz JMRNVLXBZUNIMR-KRWDZBQOSA-N 1 3 357.929 4.168 20 0 FIADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001168166915 1101792086 /nfs/dbraw/zinc/79/20/86/1101792086.db2.gz NSXPIHOZOCPDSZ-QGZVFWFLSA-N 1 3 357.929 4.168 20 0 FIADHO CCOc1cccc([C@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000120573253 1102235578 /nfs/dbraw/zinc/23/55/78/1102235578.db2.gz IYTBKQAWUOAPFJ-ROUUACIJSA-N 1 3 356.510 4.438 20 0 FIADHO C[C@@H]1C[C@H](NCCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000519476872 1102235854 /nfs/dbraw/zinc/23/58/54/1102235854.db2.gz DMUJFANWVNLOKF-IEBWSBKVSA-N 1 3 365.546 4.482 20 0 FIADHO C[C@@H]1C[C@H](NCCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000519476872 1102235859 /nfs/dbraw/zinc/23/58/59/1102235859.db2.gz DMUJFANWVNLOKF-IEBWSBKVSA-N 1 3 365.546 4.482 20 0 FIADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(CO)c1 ZINC000121085435 1102323668 /nfs/dbraw/zinc/32/36/68/1102323668.db2.gz YGELMPGCHQYDMH-IBGZPJMESA-N 1 3 352.522 4.262 20 0 FIADHO COc1cccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1OC ZINC000537636405 1102390890 /nfs/dbraw/zinc/39/08/90/1102390890.db2.gz MQWUERQYPOXRGY-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1cccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1OC ZINC000537636405 1102390907 /nfs/dbraw/zinc/39/09/07/1102390907.db2.gz MQWUERQYPOXRGY-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000122409874 1102574618 /nfs/dbraw/zinc/57/46/18/1102574618.db2.gz BWIUMEVWPXMYLL-GCJKJVERSA-N 1 3 372.553 4.114 20 0 FIADHO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881685 1102651766 /nfs/dbraw/zinc/65/17/66/1102651766.db2.gz BDYZAMNLLFVBIF-OFNKIYASSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881685 1102651771 /nfs/dbraw/zinc/65/17/71/1102651771.db2.gz BDYZAMNLLFVBIF-OFNKIYASSA-N 1 3 364.533 4.266 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000550881685 1102651774 /nfs/dbraw/zinc/65/17/74/1102651774.db2.gz BDYZAMNLLFVBIF-OFNKIYASSA-N 1 3 364.533 4.266 20 0 FIADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550881906 1102653347 /nfs/dbraw/zinc/65/33/47/1102653347.db2.gz FVONANQCVCXADB-BDTNDASRSA-N 1 3 370.581 4.330 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CN[C@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000550932421 1102712865 /nfs/dbraw/zinc/71/28/65/1102712865.db2.gz WOBHNVNVBICDCW-QFIPXVFZSA-N 1 3 366.505 4.032 20 0 FIADHO CC[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000123019307 1102746678 /nfs/dbraw/zinc/74/66/78/1102746678.db2.gz QMFCZBPSYBZIDI-NRFANRHFSA-N 1 3 366.505 4.295 20 0 FIADHO Clc1ccc(Cl)c(-c2csc(CN[C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000666953506 1102747764 /nfs/dbraw/zinc/74/77/64/1102747764.db2.gz ADWMFCMMZIGKCN-OAHLLOKOSA-N 1 3 368.333 4.349 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000506863161 1102925561 /nfs/dbraw/zinc/92/55/61/1102925561.db2.gz UYDFDCDEBBMIET-UHFFFAOYSA-N 1 3 354.542 4.125 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000506863161 1102925562 /nfs/dbraw/zinc/92/55/62/1102925562.db2.gz UYDFDCDEBBMIET-UHFFFAOYSA-N 1 3 354.542 4.125 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000506873476 1102935401 /nfs/dbraw/zinc/93/54/01/1102935401.db2.gz GJDNRTGLJLGEAS-UHFFFAOYSA-N 1 3 358.555 4.149 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000506873476 1102935403 /nfs/dbraw/zinc/93/54/03/1102935403.db2.gz GJDNRTGLJLGEAS-UHFFFAOYSA-N 1 3 358.555 4.149 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000506942868 1102962964 /nfs/dbraw/zinc/96/29/64/1102962964.db2.gz LTSKHRRNCUMNDW-UHFFFAOYSA-N 1 3 360.933 4.080 20 0 FIADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000506947144 1102976490 /nfs/dbraw/zinc/97/64/90/1102976490.db2.gz TYYBDRSVOOCBOE-UHFFFAOYSA-N 1 3 374.550 4.109 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CC[C@H]3C3CCC3)C3(C2)CCOCC3)cc1 ZINC000551265618 1103025301 /nfs/dbraw/zinc/02/53/01/1103025301.db2.gz WZSJKWBFFVXCFF-RJGXRXQPSA-N 1 3 368.565 4.084 20 0 FIADHO CC[NH+]1CCC(CNCc2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 ZINC000729681619 1103034820 /nfs/dbraw/zinc/03/48/20/1103034820.db2.gz FOQIDOFGXMHAAE-UHFFFAOYSA-N 1 3 374.960 4.023 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1O ZINC000459382720 1103105073 /nfs/dbraw/zinc/10/50/73/1103105073.db2.gz WXHIJUKBVBUZOO-SFHVURJKSA-N 1 3 368.521 4.313 20 0 FIADHO CCOc1cc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1O ZINC000459382720 1103105089 /nfs/dbraw/zinc/10/50/89/1103105089.db2.gz WXHIJUKBVBUZOO-SFHVURJKSA-N 1 3 368.521 4.313 20 0 FIADHO COc1cc(C)ccc1[C@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551563905 1103364421 /nfs/dbraw/zinc/36/44/21/1103364421.db2.gz LWRDJBGPESEEEY-SFHVURJKSA-N 1 3 368.521 4.327 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(Cl)c(F)c3)cc2)CC1 ZINC000551620554 1103445383 /nfs/dbraw/zinc/44/53/83/1103445383.db2.gz XXYQMDAVFFWNQQ-UHFFFAOYSA-N 1 3 362.876 4.242 20 0 FIADHO C[NH+]1CCC(N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187961761 1103555895 /nfs/dbraw/zinc/55/58/95/1103555895.db2.gz GENOXHCXDRBMST-KRWDZBQOSA-N 1 3 355.295 4.113 20 0 FIADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000551778469 1103624571 /nfs/dbraw/zinc/62/45/71/1103624571.db2.gz ITGDRIZJWDDVMX-IAGOWNOFSA-N 1 3 368.949 4.279 20 0 FIADHO CC(C)Oc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000551778469 1103624588 /nfs/dbraw/zinc/62/45/88/1103624588.db2.gz ITGDRIZJWDDVMX-IAGOWNOFSA-N 1 3 368.949 4.279 20 0 FIADHO COC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789934 1103853535 /nfs/dbraw/zinc/85/35/35/1103853535.db2.gz IDSRTACGPAATKR-NQIIRXRSSA-N 1 3 358.913 4.139 20 0 FIADHO Brc1ccc([C@H](NC2CC[NH+](C3CC3)CC2)C2CC2)s1 ZINC000190575916 1104935825 /nfs/dbraw/zinc/93/58/25/1104935825.db2.gz PJRQBDRFYFYSBD-MRXNPFEDSA-N 1 3 355.345 4.178 20 0 FIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375738 1105061565 /nfs/dbraw/zinc/06/15/65/1105061565.db2.gz PYOHKYIQFNZOEA-UONOGXRCSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375738 1105061573 /nfs/dbraw/zinc/06/15/73/1105061573.db2.gz PYOHKYIQFNZOEA-UONOGXRCSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@@H]1CC(NCCN(C)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008137 1105167827 /nfs/dbraw/zinc/16/78/27/1105167827.db2.gz CVHVMCQBACKHKZ-WOJBJXKFSA-N 1 3 351.538 4.154 20 0 FIADHO CC(C)OCC[NH+]1CCC(N[C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000507830623 1105230964 /nfs/dbraw/zinc/23/09/64/1105230964.db2.gz MOCVMXHGWCPCCX-IBGZPJMESA-N 1 3 371.352 4.460 20 0 FIADHO COCCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000475353682 1106748982 /nfs/dbraw/zinc/74/89/82/1106748982.db2.gz XHPFXPVALKPSBJ-QFIPXVFZSA-N 1 3 358.570 4.411 20 0 FIADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 ZINC000643455506 1106980043 /nfs/dbraw/zinc/98/00/43/1106980043.db2.gz NOFUJUCUKALBKN-NIKGAXFTSA-N 1 3 361.411 4.019 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@H](NC[C@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152468442 1107774394 /nfs/dbraw/zinc/77/43/94/1107774394.db2.gz YSDKGPANRGLMSL-RDTXWAMCSA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@H](NC[C@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152468442 1107774410 /nfs/dbraw/zinc/77/44/10/1107774410.db2.gz YSDKGPANRGLMSL-RDTXWAMCSA-N 1 3 371.525 4.401 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000531704828 1108083412 /nfs/dbraw/zinc/08/34/12/1108083412.db2.gz RBLLGKAFCXYZCD-OAQYLSRUSA-N 1 3 358.913 4.448 20 0 FIADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000531705508 1108083571 /nfs/dbraw/zinc/08/35/71/1108083571.db2.gz CZEWRWWHWABVMI-AOMKIAJQSA-N 1 3 356.485 4.179 20 0 FIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453053354 1108129454 /nfs/dbraw/zinc/12/94/54/1108129454.db2.gz ADFGVYKOMZBJFX-LJQANCHMSA-N 1 3 354.542 4.250 20 0 FIADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2sccc21 ZINC000453059814 1108136658 /nfs/dbraw/zinc/13/66/58/1108136658.db2.gz AHRGJRBXELXSRI-LAUBAEHRSA-N 1 3 369.578 4.224 20 0 FIADHO c1cc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)cc2c1OCC2 ZINC000532205724 1108694715 /nfs/dbraw/zinc/69/47/15/1108694715.db2.gz GJFLAQYHSKAAAA-UHFFFAOYSA-N 1 3 362.517 4.253 20 0 FIADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000524812106 1109162037 /nfs/dbraw/zinc/16/20/37/1109162037.db2.gz OMWYUTXFAYSGLR-OALUTQOASA-N 1 3 352.522 4.161 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000447577577 1109593793 /nfs/dbraw/zinc/59/37/93/1109593793.db2.gz IIYLVXGPLIGTLE-AJSBUHFISA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000447577577 1109593797 /nfs/dbraw/zinc/59/37/97/1109593797.db2.gz IIYLVXGPLIGTLE-AJSBUHFISA-N 1 3 352.522 4.264 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(SC)cc2)CC1 ZINC000527118635 1109699720 /nfs/dbraw/zinc/69/97/20/1109699720.db2.gz LCLQFGIDQSWEAD-UHFFFAOYSA-N 1 3 369.578 4.230 20 0 FIADHO c1cc2cccc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)c2o1 ZINC000449141742 1109984531 /nfs/dbraw/zinc/98/45/31/1109984531.db2.gz MEZAZGHDYVAFDZ-UHFFFAOYSA-N 1 3 350.462 4.197 20 0 FIADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCOC2)CC1 ZINC000450610044 1110319616 /nfs/dbraw/zinc/31/96/16/1110319616.db2.gz GHLKXUMPVITFOY-INIZCTEOSA-N 1 3 370.459 4.028 20 0 FIADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCOC2)CC1 ZINC000450610044 1110319619 /nfs/dbraw/zinc/31/96/19/1110319619.db2.gz GHLKXUMPVITFOY-INIZCTEOSA-N 1 3 370.459 4.028 20 0 FIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000538409329 1111129102 /nfs/dbraw/zinc/12/91/02/1111129102.db2.gz MDZCAVYPKGUXFS-HBMCJLEFSA-N 1 3 362.533 4.270 20 0 FIADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@H](C)O1 ZINC000461385688 1111192859 /nfs/dbraw/zinc/19/28/59/1111192859.db2.gz ICFMQBMQMVQKHP-IRXDYDNUSA-N 1 3 366.496 4.336 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1)CC1CC1 ZINC000538857517 1111321867 /nfs/dbraw/zinc/32/18/67/1111321867.db2.gz CTUCPENWRVIDDR-UHFFFAOYSA-N 1 3 370.585 4.016 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1)CC1CC1 ZINC000538857517 1111321870 /nfs/dbraw/zinc/32/18/70/1111321870.db2.gz CTUCPENWRVIDDR-UHFFFAOYSA-N 1 3 370.585 4.016 20 0 FIADHO CCN1CC[C@H](C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000461794422 1111359065 /nfs/dbraw/zinc/35/90/65/1111359065.db2.gz ASMVNZHYWUBHBM-QGZVFWFLSA-N 1 3 358.476 4.050 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCNc1ccccc1)c1ccccc1O2 ZINC000539400942 1111550959 /nfs/dbraw/zinc/55/09/59/1111550959.db2.gz VJNPULLZSKAXTF-NRFANRHFSA-N 1 3 365.521 4.066 20 0 FIADHO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000552277187 1111655988 /nfs/dbraw/zinc/65/59/88/1111655988.db2.gz QPUTULRWORPCRM-GXRSIYKFSA-N 1 3 356.554 4.224 20 0 FIADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000479465790 1112034750 /nfs/dbraw/zinc/03/47/50/1112034750.db2.gz PXPNPRJMPSYHFX-RXVVDRJESA-N 1 3 354.469 4.151 20 0 FIADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCS2 ZINC000479466316 1112041820 /nfs/dbraw/zinc/04/18/20/1112041820.db2.gz RLQLWBDPXIQRPN-YLJYHZDGSA-N 1 3 356.510 4.474 20 0 FIADHO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000479509168 1112054347 /nfs/dbraw/zinc/05/43/47/1112054347.db2.gz BDXQCTWHVKLLLE-JRSKDTKFSA-N 1 3 367.306 4.182 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CCCC2)CCC3)cc1 ZINC000480162782 1112310331 /nfs/dbraw/zinc/31/03/31/1112310331.db2.gz LMDPIMNAQIMNDZ-SFHVURJKSA-N 1 3 371.550 4.272 20 0 FIADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000480212269 1112333499 /nfs/dbraw/zinc/33/34/99/1112333499.db2.gz FZZPHGWCKHZKED-AUSIDOKSSA-N 1 3 374.532 4.028 20 0 FIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000480212269 1112333503 /nfs/dbraw/zinc/33/35/03/1112333503.db2.gz FZZPHGWCKHZKED-AUSIDOKSSA-N 1 3 374.532 4.028 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000480235433 1112344125 /nfs/dbraw/zinc/34/41/25/1112344125.db2.gz XMPSEAXBNLQHDJ-KRWDZBQOSA-N 1 3 371.491 4.035 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000480257699 1112347812 /nfs/dbraw/zinc/34/78/12/1112347812.db2.gz CFAYFLRGYKVHNR-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000480257699 1112347816 /nfs/dbraw/zinc/34/78/16/1112347816.db2.gz CFAYFLRGYKVHNR-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(N(C)C(C)C)nc2)cc1 ZINC000480639177 1112526201 /nfs/dbraw/zinc/52/62/01/1112526201.db2.gz LREXFHDSXXSVIT-UHFFFAOYSA-N 1 3 354.542 4.058 20 0 FIADHO Cc1ccncc1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000554858680 1112533376 /nfs/dbraw/zinc/53/33/76/1112533376.db2.gz UDBLIZNJJBUCAE-RPWUZVMVSA-N 1 3 363.549 4.309 20 0 FIADHO Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000554858680 1112533377 /nfs/dbraw/zinc/53/33/77/1112533377.db2.gz UDBLIZNJJBUCAE-RPWUZVMVSA-N 1 3 363.549 4.309 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000480728359 1112573951 /nfs/dbraw/zinc/57/39/51/1112573951.db2.gz KRGGOCKJZXIALT-SFHVURJKSA-N 1 3 368.521 4.288 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000480763948 1112592601 /nfs/dbraw/zinc/59/26/01/1112592601.db2.gz WYYFHPOWPHGXCY-FQEVSTJZSA-N 1 3 351.966 4.044 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccc2ccccc21 ZINC000480892269 1112646251 /nfs/dbraw/zinc/64/62/51/1112646251.db2.gz YLPHUQISKUXIQZ-HXUWFJFHSA-N 1 3 373.544 4.438 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434944 1113253598 /nfs/dbraw/zinc/25/35/98/1113253598.db2.gz HGGDXCWGMARFSB-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434944 1113253601 /nfs/dbraw/zinc/25/36/01/1113253601.db2.gz HGGDXCWGMARFSB-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434944 1113253603 /nfs/dbraw/zinc/25/36/03/1113253603.db2.gz HGGDXCWGMARFSB-NFBKMPQASA-N 1 3 352.522 4.301 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000482442953 1113257983 /nfs/dbraw/zinc/25/79/83/1113257983.db2.gz ZYHSOWFROUIPPV-YKSBVNFPSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442953 1113257987 /nfs/dbraw/zinc/25/79/87/1113257987.db2.gz ZYHSOWFROUIPPV-YKSBVNFPSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CCC2 ZINC000482442953 1113257990 /nfs/dbraw/zinc/25/79/90/1113257990.db2.gz ZYHSOWFROUIPPV-YKSBVNFPSA-N 1 3 364.533 4.227 20 0 FIADHO CCc1nc(C)c([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000482892636 1113391932 /nfs/dbraw/zinc/39/19/32/1113391932.db2.gz AAYDROZPSNGPGC-MRXNPFEDSA-N 1 3 373.566 4.339 20 0 FIADHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000486521726 1113590375 /nfs/dbraw/zinc/59/03/75/1113590375.db2.gz XAIMUVYCQQSQBA-PXNSSMCTSA-N 1 3 370.562 4.417 20 0 FIADHO CSCc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000586783258 1114392776 /nfs/dbraw/zinc/39/27/76/1114392776.db2.gz REPDHMRSNZVHOY-UHFFFAOYSA-N 1 3 370.562 4.314 20 0 FIADHO C[C@H](c1cccc(Cl)c1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588710347 1114602097 /nfs/dbraw/zinc/60/20/97/1114602097.db2.gz KFYJXOZIPMGACW-BRWVUGGUSA-N 1 3 350.934 4.222 20 0 FIADHO c1ccc2ncc(CC3CCN(C4CC[NH+](CC5CC5)CC4)CC3)cc2c1 ZINC001168397135 1114877007 /nfs/dbraw/zinc/87/70/07/1114877007.db2.gz LXLFSDKCMKSJKU-UHFFFAOYSA-N 1 3 363.549 4.364 20 0 FIADHO COc1ccccc1-c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000573726733 1115177996 /nfs/dbraw/zinc/17/79/96/1115177996.db2.gz YDSUKKOCVQRDIV-WCRBZPEASA-N 1 3 350.506 4.419 20 0 FIADHO COc1ccccc1-c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000573726733 1115177997 /nfs/dbraw/zinc/17/79/97/1115177997.db2.gz YDSUKKOCVQRDIV-WCRBZPEASA-N 1 3 350.506 4.419 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793792 1116237543 /nfs/dbraw/zinc/23/75/43/1116237543.db2.gz PRHPDXBFRUDQNU-BZNIZROVSA-N 1 3 357.723 4.021 20 0 FIADHO Fc1ccccc1-c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000539822463 1116385827 /nfs/dbraw/zinc/38/58/27/1116385827.db2.gz FAPXCYROPZNUJJ-UHFFFAOYSA-N 1 3 372.484 4.163 20 0 FIADHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000539832753 1116388461 /nfs/dbraw/zinc/38/84/61/1116388461.db2.gz YFPLXVAKSOKPHW-UHFFFAOYSA-N 1 3 362.901 4.143 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CCN1Cc1ccccc1 ZINC000540145516 1117896699 /nfs/dbraw/zinc/89/66/99/1117896699.db2.gz SGGHMVQSKHDHFR-QUCCMNQESA-N 1 3 367.537 4.402 20 0 FIADHO CC(C)(C)N1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000540155285 1117909245 /nfs/dbraw/zinc/90/92/45/1117909245.db2.gz JGGPYOXFXWRWKF-UHFFFAOYSA-N 1 3 373.766 4.498 20 0 FIADHO CC(C)(C)[NH+]1CCC(NCCc2cc(Cl)ccc2Br)CC1 ZINC000540155285 1117909248 /nfs/dbraw/zinc/90/92/48/1117909248.db2.gz JGGPYOXFXWRWKF-UHFFFAOYSA-N 1 3 373.766 4.498 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000540170950 1117912341 /nfs/dbraw/zinc/91/23/41/1117912341.db2.gz NGLJQSCSCOHKIM-XHSDSOJGSA-N 1 3 374.447 4.125 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000540171647 1117913304 /nfs/dbraw/zinc/91/33/04/1117913304.db2.gz UOGGBEZLSQYOSU-GPMSIDNRSA-N 1 3 366.933 4.033 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000463120471 1117979036 /nfs/dbraw/zinc/97/90/36/1117979036.db2.gz VYRKYIMYTZSIKZ-ZTCOLXNVSA-N 1 3 365.565 4.240 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140048 1117986987 /nfs/dbraw/zinc/98/69/87/1117986987.db2.gz KACCDRZDIKBAQD-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140048 1117986993 /nfs/dbraw/zinc/98/69/93/1117986993.db2.gz KACCDRZDIKBAQD-RDPSFJRHSA-N 1 3 374.532 4.074 20 0 FIADHO CC1CCN(CCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000463140399 1117987252 /nfs/dbraw/zinc/98/72/52/1117987252.db2.gz GZMDPZUZWYDYRC-UHFFFAOYSA-N 1 3 363.977 4.016 20 0 FIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(OCc2ccccn2)c1 ZINC000540354097 1117998037 /nfs/dbraw/zinc/99/80/37/1117998037.db2.gz LETHXBGDORHPLX-GHTZIAJQSA-N 1 3 353.510 4.186 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188882 1118007384 /nfs/dbraw/zinc/00/73/84/1118007384.db2.gz FKRDNPSABDVSFQ-REWPJTCUSA-N 1 3 374.532 4.323 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188882 1118007389 /nfs/dbraw/zinc/00/73/89/1118007389.db2.gz FKRDNPSABDVSFQ-REWPJTCUSA-N 1 3 374.532 4.323 20 0 FIADHO COC[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000540395178 1118029529 /nfs/dbraw/zinc/02/95/29/1118029529.db2.gz PZZPUGVNEJIJEN-NGICGMGXSA-N 1 3 366.496 4.285 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251295 1118060434 /nfs/dbraw/zinc/06/04/34/1118060434.db2.gz CZEDDWIOJVOGTB-WWPVKYPJSA-N 1 3 352.522 4.407 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463251295 1118060472 /nfs/dbraw/zinc/06/04/72/1118060472.db2.gz CZEDDWIOJVOGTB-WWPVKYPJSA-N 1 3 352.522 4.407 20 0 FIADHO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000540510469 1118099134 /nfs/dbraw/zinc/09/91/34/1118099134.db2.gz OZESRWCPGLZNJT-KCXPTXFHSA-N 1 3 368.521 4.302 20 0 FIADHO Cc1ccc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000540501755 1118103693 /nfs/dbraw/zinc/10/36/93/1118103693.db2.gz SELNPTZBEIIAEO-NRFANRHFSA-N 1 3 350.506 4.115 20 0 FIADHO CCC[NH+]1CCC(N(C)CC2(COc3cccc(COC)c3)CCC2)CC1 ZINC000540555550 1118127179 /nfs/dbraw/zinc/12/71/79/1118127179.db2.gz LDPCMRBSHZSZPK-UHFFFAOYSA-N 1 3 374.569 4.188 20 0 FIADHO CCC1(CNCc2cc(OC)cc(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000540769468 1118235342 /nfs/dbraw/zinc/23/53/42/1118235342.db2.gz NQPVAUAQBRHKNY-UHFFFAOYSA-N 1 3 367.537 4.181 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000540992656 1118341996 /nfs/dbraw/zinc/34/19/96/1118341996.db2.gz YKFAZUAXIMTTOE-SVMVAKDDSA-N 1 3 365.521 4.206 20 0 FIADHO CC(=O)Nc1ccc([C@H](C)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000540992656 1118341998 /nfs/dbraw/zinc/34/19/98/1118341998.db2.gz YKFAZUAXIMTTOE-SVMVAKDDSA-N 1 3 365.521 4.206 20 0 FIADHO CC(C)OCC[NH+]1CCC(N[C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000507830630 1118348002 /nfs/dbraw/zinc/34/80/02/1118348002.db2.gz MOCVMXHGWCPCCX-LJQANCHMSA-N 1 3 371.352 4.460 20 0 FIADHO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541666473 1118596904 /nfs/dbraw/zinc/59/69/04/1118596904.db2.gz BKSUWRVPWGEFRB-HXUWFJFHSA-N 1 3 365.565 4.250 20 0 FIADHO Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000541738762 1118627440 /nfs/dbraw/zinc/62/74/40/1118627440.db2.gz OYIGZMXYUSVTNM-MBPVOVBZSA-N 1 3 369.578 4.445 20 0 FIADHO CSc1ccc(OCC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464846977 1118720006 /nfs/dbraw/zinc/72/00/06/1118720006.db2.gz KQOIMBOJSCMWCS-HXUWFJFHSA-N 1 3 370.562 4.241 20 0 FIADHO CSc1ccc(OCC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000464846977 1118720008 /nfs/dbraw/zinc/72/00/08/1118720008.db2.gz KQOIMBOJSCMWCS-HXUWFJFHSA-N 1 3 370.562 4.241 20 0 FIADHO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000311072871 1119356710 /nfs/dbraw/zinc/35/67/10/1119356710.db2.gz KLIAHLOXIYVSHG-LPHOPBHVSA-N 1 3 358.913 4.349 20 0 FIADHO CO[C@@H](c1ccccc1)[C@@H](C)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896954 1119507453 /nfs/dbraw/zinc/50/74/53/1119507453.db2.gz KLQWYWAEUYOEKC-AUSIDOKSSA-N 1 3 352.522 4.325 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000493945732 1119513914 /nfs/dbraw/zinc/51/39/14/1119513914.db2.gz TZXPHCBTTXTHRW-CVDCTZTESA-N 1 3 352.522 4.059 20 0 FIADHO COc1ccc(-c2ccncc2)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000186888833 1119755604 /nfs/dbraw/zinc/75/56/04/1119755604.db2.gz WEUVFZBKQFFHQC-UHFFFAOYSA-N 1 3 365.521 4.065 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000190906392 1119953488 /nfs/dbraw/zinc/95/34/88/1119953488.db2.gz UKYCECYVQXABIK-UHFFFAOYSA-N 1 3 366.553 4.204 20 0 FIADHO CC1CC[NH+](C2CCC(NCc3ccc(Br)o3)CC2)CC1 ZINC000191470911 1119978713 /nfs/dbraw/zinc/97/87/13/1119978713.db2.gz ZHEGNOVLMAZEEN-UHFFFAOYSA-N 1 3 355.320 4.175 20 0 FIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000236930927 1120971772 /nfs/dbraw/zinc/97/17/72/1120971772.db2.gz NPDJVTBTIAUEJG-NRFANRHFSA-N 1 3 368.521 4.096 20 0 FIADHO Fc1cc(F)cc(Oc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)c1 ZINC000237811430 1120984664 /nfs/dbraw/zinc/98/46/64/1120984664.db2.gz BQQMCRYERQIQCU-INIZCTEOSA-N 1 3 358.432 4.331 20 0 FIADHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccc(OC)c(OC)c1 ZINC000123929256 1121646208 /nfs/dbraw/zinc/64/62/08/1121646208.db2.gz JLHCKDRXYHQIGS-FQEVSTJZSA-N 1 3 356.510 4.396 20 0 FIADHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccc(OC)c(OC)c1 ZINC000123929256 1121646212 /nfs/dbraw/zinc/64/62/12/1121646212.db2.gz JLHCKDRXYHQIGS-FQEVSTJZSA-N 1 3 356.510 4.396 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749992 1121709894 /nfs/dbraw/zinc/70/98/94/1121709894.db2.gz CXBNJNLGQMZSSE-TXPKVOOTSA-N 1 3 365.477 4.095 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749992 1121709899 /nfs/dbraw/zinc/70/98/99/1121709899.db2.gz CXBNJNLGQMZSSE-TXPKVOOTSA-N 1 3 365.477 4.095 20 0 FIADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC001168593536 1121710554 /nfs/dbraw/zinc/71/05/54/1121710554.db2.gz LHHILKRBXDCPTO-FCHUYYIVSA-N 1 3 354.538 4.246 20 0 FIADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC001168593536 1121710564 /nfs/dbraw/zinc/71/05/64/1121710564.db2.gz LHHILKRBXDCPTO-FCHUYYIVSA-N 1 3 354.538 4.246 20 0 FIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000063917715 1121727873 /nfs/dbraw/zinc/72/78/73/1121727873.db2.gz KJZUCRSCQBQQHS-OAQYLSRUSA-N 1 3 368.521 4.096 20 0 FIADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000125894665 1121862665 /nfs/dbraw/zinc/86/26/65/1121862665.db2.gz JXZSWGRMBAHIIS-PXNSSMCTSA-N 1 3 372.557 4.016 20 0 FIADHO c1cn2c(C[NH2+]C3CCN(CC4CC4)CC3)c(-c3ccccc3)nc2s1 ZINC000917998651 1122519015 /nfs/dbraw/zinc/51/90/15/1122519015.db2.gz NNQZVGSCMMJCKW-UHFFFAOYSA-N 1 3 366.534 4.027 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3sc(Br)cc32)cc1 ZINC000556052075 1122624837 /nfs/dbraw/zinc/62/48/37/1122624837.db2.gz BPXBVYYSRJTTSS-HNNXBMFYSA-N 1 3 365.340 4.349 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c2ccccc21 ZINC000556119354 1122670543 /nfs/dbraw/zinc/67/05/43/1122670543.db2.gz WIQLWPSMTDZINN-ITEAAPOESA-N 1 3 356.485 4.007 20 0 FIADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556228613 1122745491 /nfs/dbraw/zinc/74/54/91/1122745491.db2.gz ASYFKCKQUKBQFH-FCEUIQTBSA-N 1 3 356.554 4.084 20 0 FIADHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)c1OC ZINC000556889553 1123176369 /nfs/dbraw/zinc/17/63/69/1123176369.db2.gz JHGPPIBXELTJMA-QRFRQXIXSA-N 1 3 374.569 4.186 20 0 FIADHO CCCCN1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132748965 1123355607 /nfs/dbraw/zinc/35/56/07/1123355607.db2.gz NEVGZHCPFFVTPF-SFHVURJKSA-N 1 3 355.448 4.332 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(C)c1F ZINC000132828547 1123366003 /nfs/dbraw/zinc/36/60/03/1123366003.db2.gz WGFXYOAVLRGDIN-GOSISDBHSA-N 1 3 370.512 4.250 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc2ccccc21 ZINC000246364153 1124469880 /nfs/dbraw/zinc/46/98/80/1124469880.db2.gz ITQAJCZDAJYIBS-PDIWNELESA-N 1 3 352.522 4.258 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248455240 1124773089 /nfs/dbraw/zinc/77/30/89/1124773089.db2.gz RJMUXLXBZKWONB-VXKWHMMOSA-N 1 3 356.485 4.023 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000248455240 1124773098 /nfs/dbraw/zinc/77/30/98/1124773098.db2.gz RJMUXLXBZKWONB-VXKWHMMOSA-N 1 3 356.485 4.023 20 0 FIADHO Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)C2 ZINC001168683861 1124800965 /nfs/dbraw/zinc/80/09/65/1124800965.db2.gz APMNAHDMRXGOHS-LUBSMZHTSA-N 1 3 366.936 4.307 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000091285094 1125061732 /nfs/dbraw/zinc/06/17/32/1125061732.db2.gz UMNSKCCKPYBTPY-IBGZPJMESA-N 1 3 371.491 4.020 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353999 1125229475 /nfs/dbraw/zinc/22/94/75/1125229475.db2.gz XSPFLSJGHYMVPU-WIYYLYMNSA-N 1 3 372.582 4.160 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353999 1125229480 /nfs/dbraw/zinc/22/94/80/1125229480.db2.gz XSPFLSJGHYMVPU-WIYYLYMNSA-N 1 3 372.582 4.160 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(OC)cc2)ccc1OC ZINC000182185453 1125275521 /nfs/dbraw/zinc/27/55/21/1125275521.db2.gz JXXGZYZBIPINIH-QGZVFWFLSA-N 1 3 356.510 4.396 20 0 FIADHO c1ccc(CN2CCC([C@H]3CCCCC[N@@H+]3Cc3cnccn3)CC2)cc1 ZINC000563117493 568220504 /nfs/dbraw/zinc/22/05/04/568220504.db2.gz YQSREXDQUOIXJO-HSZRJFAPSA-N 1 3 364.537 4.133 20 0 FIADHO c1ccc(CN2CCC([C@H]3CCCCC[N@H+]3Cc3cnccn3)CC2)cc1 ZINC000563117493 568220505 /nfs/dbraw/zinc/22/05/05/568220505.db2.gz YQSREXDQUOIXJO-HSZRJFAPSA-N 1 3 364.537 4.133 20 0 FIADHO CN(C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119845 568224602 /nfs/dbraw/zinc/22/46/02/568224602.db2.gz JPUMPQLUMXKNFC-LEWJYISDSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccsc1 ZINC000563119845 568224603 /nfs/dbraw/zinc/22/46/03/568224603.db2.gz JPUMPQLUMXKNFC-LEWJYISDSA-N 1 3 369.578 4.138 20 0 FIADHO CC(=O)Nc1ccccc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093844590 1125533710 /nfs/dbraw/zinc/53/37/10/1125533710.db2.gz HTAIBSPYJDSYLC-GOSISDBHSA-N 1 3 357.542 4.122 20 0 FIADHO CC(=O)Nc1ccccc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844590 1125533717 /nfs/dbraw/zinc/53/37/17/1125533717.db2.gz HTAIBSPYJDSYLC-GOSISDBHSA-N 1 3 357.542 4.122 20 0 FIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000154143230 1080004747 /nfs/dbraw/zinc/00/47/47/1080004747.db2.gz VNUZVJYIYFNABT-MBSDFSHPSA-N 1 3 364.533 4.290 20 0 FIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000154143230 1080004757 /nfs/dbraw/zinc/00/47/57/1080004757.db2.gz VNUZVJYIYFNABT-MBSDFSHPSA-N 1 3 364.533 4.290 20 0 FIADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)CC3 ZINC000180713699 1080539201 /nfs/dbraw/zinc/53/92/01/1080539201.db2.gz VFYDSIMIBVLJMM-GOSISDBHSA-N 1 3 351.538 4.330 20 0 FIADHO CC(C)CN1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000302962416 1081013543 /nfs/dbraw/zinc/01/35/43/1081013543.db2.gz QLBLYWKBYRKAKT-UHFFFAOYSA-N 1 3 362.521 4.236 20 0 FIADHO CC(C)n1c2ccccc2nc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001648811053 1081124582 /nfs/dbraw/zinc/12/45/82/1081124582.db2.gz CXMJBWJLPGNQKY-RTBURBONSA-N 1 3 356.558 4.465 20 0 FIADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)CC2 ZINC000655719417 1081138382 /nfs/dbraw/zinc/13/83/82/1081138382.db2.gz SSOLZSGTNWGYOQ-QHCPKHFHSA-N 1 3 364.533 4.037 20 0 FIADHO Cc1cc2c(c(C)c1)[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000655719417 1081138386 /nfs/dbraw/zinc/13/83/86/1081138386.db2.gz SSOLZSGTNWGYOQ-QHCPKHFHSA-N 1 3 364.533 4.037 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000655804942 1081211358 /nfs/dbraw/zinc/21/13/58/1081211358.db2.gz GSEQMYRXVVXQDP-VPWXQRGCSA-N 1 3 373.338 4.468 20 0 FIADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC001648814396 1081218861 /nfs/dbraw/zinc/21/88/61/1081218861.db2.gz KZOVUGQOCKETBS-HXUWFJFHSA-N 1 3 357.586 4.130 20 0 FIADHO CCC[N@H+](CCCN1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167333767 1081456711 /nfs/dbraw/zinc/45/67/11/1081456711.db2.gz ZNIFFRJYZLRHKT-QHCPKHFHSA-N 1 3 357.586 4.239 20 0 FIADHO CCC[N@@H+](CCCN1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167333767 1081456712 /nfs/dbraw/zinc/45/67/12/1081456712.db2.gz ZNIFFRJYZLRHKT-QHCPKHFHSA-N 1 3 357.586 4.239 20 0 FIADHO Fc1ccc(C2(C[NH2+]C3CCN(C4CCCCC4)CC3)CCOCC2)cc1 ZINC000152042182 1081530753 /nfs/dbraw/zinc/53/07/53/1081530753.db2.gz XQGCPPBEOUWKPW-UHFFFAOYSA-N 1 3 374.544 4.261 20 0 FIADHO C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353576 1081878490 /nfs/dbraw/zinc/87/84/90/1081878490.db2.gz KIBRCJUFMSCEBM-LAUBAEHRSA-N 1 3 353.466 4.158 20 0 FIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000471611343 1082093031 /nfs/dbraw/zinc/09/30/31/1082093031.db2.gz PPQLEUZMJRRHCA-BHDDXSALSA-N 1 3 356.554 4.038 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312974728 1082109275 /nfs/dbraw/zinc/10/92/75/1082109275.db2.gz KSVRTPXZODJCHA-SPEDKVCISA-N 1 3 365.521 4.206 20 0 FIADHO COCCC[NH+]1CCC(NCc2sc3c(cccc3Cl)c2C)CC1 ZINC000580999918 1082273553 /nfs/dbraw/zinc/27/35/53/1082273553.db2.gz HJDIEJZJVHUOHR-UHFFFAOYSA-N 1 3 366.958 4.454 20 0 FIADHO CN(C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167610 1082705050 /nfs/dbraw/zinc/70/50/50/1082705050.db2.gz MFKWNLMDOZINFY-VQTJNVASSA-N 1 3 369.578 4.138 20 0 FIADHO CN(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000647167610 1082705053 /nfs/dbraw/zinc/70/50/53/1082705053.db2.gz MFKWNLMDOZINFY-VQTJNVASSA-N 1 3 369.578 4.138 20 0 FIADHO Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000656683160 1082713539 /nfs/dbraw/zinc/71/35/39/1082713539.db2.gz ILHLDSWJOBRLOJ-NRFANRHFSA-N 1 3 355.913 4.224 20 0 FIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1F ZINC000656684024 1082717938 /nfs/dbraw/zinc/71/79/38/1082717938.db2.gz SAQCJIVYCSSKDF-OAQYLSRUSA-N 1 3 359.464 4.313 20 0 FIADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000684394901 1082828220 /nfs/dbraw/zinc/82/82/20/1082828220.db2.gz OAHLTNVATQNGQA-KMDXXIMOSA-N 1 3 363.549 4.213 20 0 FIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccccc2OC(F)F)CC1 ZINC000471764510 1082961289 /nfs/dbraw/zinc/96/12/89/1082961289.db2.gz YHJOXLNJVLOMIF-APWZRJJASA-N 1 3 366.496 4.463 20 0 FIADHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccsc1 ZINC000090971345 1083097610 /nfs/dbraw/zinc/09/76/10/1083097610.db2.gz CZSFSUZDGCPAKR-QGZVFWFLSA-N 1 3 355.551 4.131 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Br ZINC000430762041 1083155041 /nfs/dbraw/zinc/15/50/41/1083155041.db2.gz NNLDWTHMSOMSNN-YHUYYLMFSA-N 1 3 367.306 4.051 20 0 FIADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Br ZINC000430762041 1083155048 /nfs/dbraw/zinc/15/50/48/1083155048.db2.gz NNLDWTHMSOMSNN-YHUYYLMFSA-N 1 3 367.306 4.051 20 0 FIADHO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000658320217 1083406519 /nfs/dbraw/zinc/40/65/19/1083406519.db2.gz RUZDZRMPUAYGLH-UGKGYDQZSA-N 1 3 366.553 4.417 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320349 1083407976 /nfs/dbraw/zinc/40/79/76/1083407976.db2.gz SPAGBBHRCUASOG-AUSIDOKSSA-N 1 3 364.533 4.132 20 0 FIADHO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320349 1083407982 /nfs/dbraw/zinc/40/79/82/1083407982.db2.gz SPAGBBHRCUASOG-AUSIDOKSSA-N 1 3 364.533 4.132 20 0 FIADHO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(CO)c1 ZINC000658320349 1083407986 /nfs/dbraw/zinc/40/79/86/1083407986.db2.gz SPAGBBHRCUASOG-AUSIDOKSSA-N 1 3 364.533 4.132 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000510973760 1083542270 /nfs/dbraw/zinc/54/22/70/1083542270.db2.gz AUDUBFGAENQOQK-BTYIYWSLSA-N 1 3 372.484 4.113 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000510980635 1083556897 /nfs/dbraw/zinc/55/68/97/1083556897.db2.gz YMVBCEVJQZTXKJ-BPXKWBHBSA-N 1 3 368.496 4.322 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000511003163 1084099728 /nfs/dbraw/zinc/09/97/28/1084099728.db2.gz VETZXPSGJUPPRW-YCRPNKLZSA-N 1 3 372.484 4.113 20 0 FIADHO c1c2ccncc2sc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000657308772 1084391148 /nfs/dbraw/zinc/39/11/48/1084391148.db2.gz BQXCAKOJQIVLOI-UHFFFAOYSA-N 1 3 351.519 4.093 20 0 FIADHO O[C@@H](C[C@@H]1CCCCCN1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161401103 1085002353 /nfs/dbraw/zinc/00/23/53/1085002353.db2.gz KUFUJPWLNSLKDW-OALUTQOASA-N 1 3 350.572 4.292 20 0 FIADHO c1cncc(-c2cccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c2)c1 ZINC000657613262 1085691263 /nfs/dbraw/zinc/69/12/63/1085691263.db2.gz JWPFVAOUPVOJEF-UHFFFAOYSA-N 1 3 372.516 4.145 20 0 FIADHO FCC[C@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@H](CCF)C3)c2)C1 ZINC000661690260 1085732457 /nfs/dbraw/zinc/73/24/57/1085732457.db2.gz OYJSBZIPJNDEGO-RTBURBONSA-N 1 3 365.512 4.225 20 0 FIADHO FCC[C@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@H](CCF)C3)c2)C1 ZINC000661690260 1085732466 /nfs/dbraw/zinc/73/24/66/1085732466.db2.gz OYJSBZIPJNDEGO-RTBURBONSA-N 1 3 365.512 4.225 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)C[C@@H](C)O1 ZINC000652166533 1085733887 /nfs/dbraw/zinc/73/38/87/1085733887.db2.gz VHTBRZOWHUVUGX-KNKQGSTJSA-N 1 3 359.558 4.182 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000120583446 1085852316 /nfs/dbraw/zinc/85/23/16/1085852316.db2.gz KLLOGDSRIUZRQV-KRWDZBQOSA-N 1 3 353.510 4.338 20 0 FIADHO COc1ccc([C@H](NCC2=CC[N@H+](C)CC2)C(C)C)c(Br)c1 ZINC000582993971 1086005678 /nfs/dbraw/zinc/00/56/78/1086005678.db2.gz CWFSHDPEIKTHGS-GOSISDBHSA-N 1 3 367.331 4.006 20 0 FIADHO COc1ccc([C@H](NCC2=CC[N@@H+](C)CC2)C(C)C)c(Br)c1 ZINC000582993971 1086005692 /nfs/dbraw/zinc/00/56/92/1086005692.db2.gz CWFSHDPEIKTHGS-GOSISDBHSA-N 1 3 367.331 4.006 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583063419 1086131792 /nfs/dbraw/zinc/13/17/92/1086131792.db2.gz SQKIQLDLPRJDCW-DENIHFKCSA-N 1 3 350.506 4.184 20 0 FIADHO COc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063419 1086131803 /nfs/dbraw/zinc/13/18/03/1086131803.db2.gz SQKIQLDLPRJDCW-DENIHFKCSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccccc1-c1nc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662295113 1086399166 /nfs/dbraw/zinc/39/91/66/1086399166.db2.gz SXGGNXVIHUJBDS-QGZVFWFLSA-N 1 3 371.550 4.030 20 0 FIADHO C[C@@H](c1ccccc1Cl)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327666 1086418980 /nfs/dbraw/zinc/41/89/80/1086418980.db2.gz KMVVWMMTANGSHP-HNNXBMFYSA-N 1 3 372.944 4.471 20 0 FIADHO COCc1cc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC ZINC000162927466 1086479182 /nfs/dbraw/zinc/47/91/82/1086479182.db2.gz ZIWVTHRXRKPJPN-GOSISDBHSA-N 1 3 368.521 4.288 20 0 FIADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)CC3 ZINC000663468536 1086571722 /nfs/dbraw/zinc/57/17/22/1086571722.db2.gz LWCVRGLJVHKDQW-MOPGFXCFSA-N 1 3 351.538 4.045 20 0 FIADHO C[C@H]1C[N@H+](CCCNCc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348007 1086645907 /nfs/dbraw/zinc/64/59/07/1086645907.db2.gz POILDFGTXYENFY-INIZCTEOSA-N 1 3 362.514 4.145 20 0 FIADHO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348007 1086645911 /nfs/dbraw/zinc/64/59/11/1086645911.db2.gz POILDFGTXYENFY-INIZCTEOSA-N 1 3 362.514 4.145 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432410844 1086733198 /nfs/dbraw/zinc/73/31/98/1086733198.db2.gz SDVUXOBFFIYCLN-DMKPSLHHSA-N 1 3 365.359 4.405 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cncc(F)c1 ZINC000657773404 1086834142 /nfs/dbraw/zinc/83/41/42/1086834142.db2.gz RIDPVZYOPUJODQ-XLIONFOSSA-N 1 3 353.485 4.174 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000650758392 1086973303 /nfs/dbraw/zinc/97/33/03/1086973303.db2.gz OKKNDZRVPYQEDR-SFHVURJKSA-N 1 3 350.384 4.082 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000650758067 1086974472 /nfs/dbraw/zinc/97/44/72/1086974472.db2.gz HYLILSHOIMIIOW-ZDUSSCGKSA-N 1 3 363.299 4.028 20 0 FIADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130264 1087123626 /nfs/dbraw/zinc/12/36/26/1087123626.db2.gz DTFVJZVPHINWAV-KBPBESRZSA-N 1 3 357.325 4.145 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000584255489 1087238189 /nfs/dbraw/zinc/23/81/89/1087238189.db2.gz LEQXDEVACRCMLO-SFHVURJKSA-N 1 3 357.517 4.046 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cn1 ZINC000092747347 1087447941 /nfs/dbraw/zinc/44/79/41/1087447941.db2.gz VLOSBOYNJGHMCO-OAHLLOKOSA-N 1 3 361.892 4.437 20 0 FIADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2ccc(F)cc2o1 ZINC000092821599 1087448689 /nfs/dbraw/zinc/44/86/89/1087448689.db2.gz NLCDXDJZBUTPPV-UHFFFAOYSA-N 1 3 368.456 4.100 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1)CC(C)C ZINC000685462643 1087575320 /nfs/dbraw/zinc/57/53/20/1087575320.db2.gz OEFXAQNZXMLSKD-UHFFFAOYSA-N 1 3 372.601 4.262 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1)CC(C)C ZINC000685462643 1087575323 /nfs/dbraw/zinc/57/53/23/1087575323.db2.gz OEFXAQNZXMLSKD-UHFFFAOYSA-N 1 3 372.601 4.262 20 0 FIADHO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000685662045 1087666732 /nfs/dbraw/zinc/66/67/32/1087666732.db2.gz YZFGSYGQLKQZHW-LRXVAGHRSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@@]1(C)OCCc2sccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685662045 1087666736 /nfs/dbraw/zinc/66/67/36/1087666736.db2.gz YZFGSYGQLKQZHW-LRXVAGHRSA-N 1 3 370.562 4.036 20 0 FIADHO C[C@H](NC[C@@]1(C)OCCc2sccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000685662045 1087666738 /nfs/dbraw/zinc/66/67/38/1087666738.db2.gz YZFGSYGQLKQZHW-LRXVAGHRSA-N 1 3 370.562 4.036 20 0 FIADHO CC(C)C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccncc1 ZINC000658162839 1087758403 /nfs/dbraw/zinc/75/84/03/1087758403.db2.gz GOZKPQFRWYMDCL-JOCHJYFZSA-N 1 3 352.526 4.066 20 0 FIADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164393 1087760345 /nfs/dbraw/zinc/76/03/45/1087760345.db2.gz CUPHJONXHKGQNC-QHCPKHFHSA-N 1 3 369.528 4.290 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)c1ccccc1 ZINC000658166143 1087763073 /nfs/dbraw/zinc/76/30/73/1087763073.db2.gz MTOPJXNTJGFWIR-LJQANCHMSA-N 1 3 351.538 4.250 20 0 FIADHO CC(C)[NH+]1CCN(CCCN([C@H](C)c2ccccc2Cl)C2CC2)CC1 ZINC000472590785 1087875163 /nfs/dbraw/zinc/87/51/63/1087875163.db2.gz OILRTZMNVCJHIO-GOSISDBHSA-N 1 3 363.977 4.282 20 0 FIADHO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299762 1087904389 /nfs/dbraw/zinc/90/43/89/1087904389.db2.gz VREUQWFYPILBRO-GOSISDBHSA-N 1 3 371.569 4.336 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000163568585 1088293315 /nfs/dbraw/zinc/29/33/15/1088293315.db2.gz KINHUXCSSAWVDI-GKVSMKOHSA-N 1 3 358.551 4.117 20 0 FIADHO FC(F)(F)C1CC[NH+](C2CC(NCc3ccc4occc4c3)C2)CC1 ZINC000377152462 1089029841 /nfs/dbraw/zinc/02/98/41/1089029841.db2.gz GRVTZSBRYNGMFN-UHFFFAOYSA-N 1 3 352.400 4.328 20 0 FIADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000415020835 1089047587 /nfs/dbraw/zinc/04/75/87/1089047587.db2.gz XTAFVHBVLCKEAX-LBPRGKRZSA-N 1 3 357.445 4.436 20 0 FIADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000415046865 1089093810 /nfs/dbraw/zinc/09/38/10/1089093810.db2.gz VLDICKKDPIPOLS-FZMZJTMJSA-N 1 3 355.429 4.046 20 0 FIADHO Cc1cc(Br)ccc1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415090488 1089143868 /nfs/dbraw/zinc/14/38/68/1089143868.db2.gz OZTYXCHRWYLRJZ-MOPGFXCFSA-N 1 3 359.311 4.340 20 0 FIADHO CC1CCN([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089311 1089147790 /nfs/dbraw/zinc/14/77/90/1089147790.db2.gz WDFDOBBLHPIABN-IYWMVGAKSA-N 1 3 361.599 4.031 20 0 FIADHO CC1CCN([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000415089314 1089148270 /nfs/dbraw/zinc/14/82/70/1089148270.db2.gz WDFDOBBLHPIABN-VNTMZGSJSA-N 1 3 361.599 4.031 20 0 FIADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415093803 1089152702 /nfs/dbraw/zinc/15/27/02/1089152702.db2.gz WCGCHMJKUGGZNW-HOCLYGCPSA-N 1 3 371.352 4.162 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(F)c(-c4cccs4)c3)CC2)C1 ZINC000415124029 1089187129 /nfs/dbraw/zinc/18/71/29/1089187129.db2.gz MBYGDAOXEKCGJM-YLJYHZDGSA-N 1 3 374.525 4.273 20 0 FIADHO Cc1ccc(CCC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000472755460 1089303933 /nfs/dbraw/zinc/30/39/33/1089303933.db2.gz WPLFASASEXUIIN-UHFFFAOYSA-N 1 3 371.613 4.056 20 0 FIADHO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000382072931 1090430632 /nfs/dbraw/zinc/43/06/32/1090430632.db2.gz ZXLXFFQFJJLFDY-DENIHFKCSA-N 1 3 352.522 4.474 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000500086384 1091031705 /nfs/dbraw/zinc/03/17/05/1091031705.db2.gz DIMRNMCZZCWKEW-GOSISDBHSA-N 1 3 363.977 4.282 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000500086384 1091031712 /nfs/dbraw/zinc/03/17/12/1091031712.db2.gz DIMRNMCZZCWKEW-GOSISDBHSA-N 1 3 363.977 4.282 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000512222642 1091928951 /nfs/dbraw/zinc/92/89/51/1091928951.db2.gz VFRCILFUDGLBFN-SFHVURJKSA-N 1 3 365.521 4.375 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000512222642 1091928953 /nfs/dbraw/zinc/92/89/53/1091928953.db2.gz VFRCILFUDGLBFN-SFHVURJKSA-N 1 3 365.521 4.375 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168011900 1092302816 /nfs/dbraw/zinc/30/28/16/1092302816.db2.gz UFVBHDQYMSMFSU-HATOLVCRSA-N 1 3 351.538 4.284 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3O2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011936 1092309184 /nfs/dbraw/zinc/30/91/84/1092309184.db2.gz UJFDDQINVYCORQ-UDKICSLYSA-N 1 3 350.506 4.021 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011936 1092309192 /nfs/dbraw/zinc/30/91/92/1092309192.db2.gz UJFDDQINVYCORQ-UDKICSLYSA-N 1 3 350.506 4.021 20 0 FIADHO Cc1ccccc1OCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012157 1092333044 /nfs/dbraw/zinc/33/30/44/1092333044.db2.gz XBGWBVAVNLVPBA-VTYHHJSWSA-N 1 3 352.522 4.405 20 0 FIADHO Cc1ccccc1OCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012157 1092333054 /nfs/dbraw/zinc/33/30/54/1092333054.db2.gz XBGWBVAVNLVPBA-VTYHHJSWSA-N 1 3 352.522 4.405 20 0 FIADHO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000237157613 1092463342 /nfs/dbraw/zinc/46/33/42/1092463342.db2.gz ZIISUQAADVOLTM-UHFFFAOYSA-N 1 3 374.960 4.023 20 0 FIADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000549726894 1092723820 /nfs/dbraw/zinc/72/38/20/1092723820.db2.gz OOVTUCSVMSVAJG-GHTZIAJQSA-N 1 3 364.574 4.133 20 0 FIADHO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443062314 1092924179 /nfs/dbraw/zinc/92/41/79/1092924179.db2.gz UKORVFGXLCQIMZ-SIKLNZKXSA-N 1 3 365.521 4.044 20 0 FIADHO Fc1ccc2c(c1)[nH+]ccc2N1CCC(c2ncc3n2CCCC3)CC1 ZINC000432932917 1092966522 /nfs/dbraw/zinc/96/65/22/1092966522.db2.gz LCGIGVJWPZZSFS-UHFFFAOYSA-N 1 3 350.441 4.291 20 0 FIADHO O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512653317 1093080101 /nfs/dbraw/zinc/08/01/01/1093080101.db2.gz DOQNHDSYJJHESN-MRKXFKPJSA-N 1 3 370.581 4.208 20 0 FIADHO c1ccc(N2CCC[C@@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000433093515 1093236445 /nfs/dbraw/zinc/23/64/45/1093236445.db2.gz QYDUQJFQOIGPHH-FQEVSTJZSA-N 1 3 355.570 4.290 20 0 FIADHO Cc1nc(C(C)C)oc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000428290190 1093549922 /nfs/dbraw/zinc/54/99/22/1093549922.db2.gz WNXUGBAXDAHMKV-UHFFFAOYSA-N 1 3 356.514 4.240 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000513363056 1094080736 /nfs/dbraw/zinc/08/07/36/1094080736.db2.gz GUFMEWKIRFLSPN-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000513363056 1094080739 /nfs/dbraw/zinc/08/07/39/1094080739.db2.gz GUFMEWKIRFLSPN-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1CC(NCC2(c3ncccc3F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037344 1094366177 /nfs/dbraw/zinc/36/61/77/1094366177.db2.gz ZXPAJLBDOLPXRS-ROUUACIJSA-N 1 3 367.512 4.284 20 0 FIADHO CN1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000513703685 1094410962 /nfs/dbraw/zinc/41/09/62/1094410962.db2.gz YTAFXKCLPSWFPR-FKBYEOEOSA-N 1 3 350.506 4.195 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467295235 1094580762 /nfs/dbraw/zinc/58/07/62/1094580762.db2.gz KXOXHLXYNPVNLX-NRFANRHFSA-N 1 3 363.977 4.189 20 0 FIADHO CCCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000420322949 1094869068 /nfs/dbraw/zinc/86/90/68/1094869068.db2.gz SWVZTAMKFJHUGK-AWEZNQCLSA-N 1 3 372.340 4.034 20 0 FIADHO Clc1ccccc1-c1csc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325982 1094889907 /nfs/dbraw/zinc/88/99/07/1094889907.db2.gz IVQSLXDWZDTNJP-LSDHHAIUSA-N 1 3 361.942 4.285 20 0 FIADHO CCC1(CN[C@H](C)c2cc(C)n(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000502427481 1095465050 /nfs/dbraw/zinc/46/50/50/1095465050.db2.gz IRGPAPHJVQNBGD-LJQANCHMSA-N 1 3 354.542 4.072 20 0 FIADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1OC ZINC000502469990 1095497886 /nfs/dbraw/zinc/49/78/86/1095497886.db2.gz DMCSBZQJLXXDDZ-FHWLQOOXSA-N 1 3 374.569 4.186 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000513761021 1095995116 /nfs/dbraw/zinc/99/51/16/1095995116.db2.gz LMTMBVLHXXWVJE-QHCPKHFHSA-N 1 3 367.537 4.086 20 0 FIADHO c1cc2c(cccc2CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)[nH]1 ZINC000503123196 1096075791 /nfs/dbraw/zinc/07/57/91/1096075791.db2.gz RJJXXAANOCTCBZ-FJIJXJHWSA-N 1 3 359.517 4.211 20 0 FIADHO c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000503123198 1096075881 /nfs/dbraw/zinc/07/58/81/1096075881.db2.gz RJJXXAANOCTCBZ-ODGPQVTHSA-N 1 3 359.517 4.211 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000422710986 1096460488 /nfs/dbraw/zinc/46/04/88/1096460488.db2.gz METPSSDPVMCIBD-MGPUTAFESA-N 1 3 359.489 4.132 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000422742735 1096478554 /nfs/dbraw/zinc/47/85/54/1096478554.db2.gz HABDFOQNRSAFOW-OXJNMPFZSA-N 1 3 372.582 4.034 20 0 FIADHO c1sc2ccccc2c1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422751879 1096482594 /nfs/dbraw/zinc/48/25/94/1096482594.db2.gz DDNCJEOPQLJYFI-NQIIRXRSSA-N 1 3 350.487 4.247 20 0 FIADHO Cc1nc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)s2)cs1 ZINC000422793561 1096492263 /nfs/dbraw/zinc/49/22/63/1096492263.db2.gz FTFLVEHNKPVNBW-LBPRGKRZSA-N 1 3 372.563 4.235 20 0 FIADHO c1nc2ccccc2n1Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422828250 1096500183 /nfs/dbraw/zinc/50/01/83/1096500183.db2.gz ODRSJNJTAHLAAZ-BHIFYINESA-N 1 3 374.532 4.095 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422825983 1096500394 /nfs/dbraw/zinc/50/03/94/1096500394.db2.gz QKTSJILOYOXJMG-LBPRGKRZSA-N 1 3 352.309 4.439 20 0 FIADHO COc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OCCC(C)C ZINC000422880389 1096510963 /nfs/dbraw/zinc/51/09/63/1096510963.db2.gz LTSHVJUSQUSHTN-INIZCTEOSA-N 1 3 371.525 4.133 20 0 FIADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422881146 1096511001 /nfs/dbraw/zinc/51/10/01/1096511001.db2.gz POJKZXPVDHWTJK-RDTXWAMCSA-N 1 3 371.352 4.149 20 0 FIADHO c1ccc(-c2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)nc1 ZINC000422993808 1096542379 /nfs/dbraw/zinc/54/23/79/1096542379.db2.gz GHQICHTXIPEQNP-UPVQGACJSA-N 1 3 371.484 4.094 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423058679 1096560847 /nfs/dbraw/zinc/56/08/47/1096560847.db2.gz KCIOTGAQECNSAQ-STQMWFEESA-N 1 3 351.416 4.322 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423058677 1096561246 /nfs/dbraw/zinc/56/12/46/1096561246.db2.gz KCIOTGAQECNSAQ-OLZOCXBDSA-N 1 3 351.416 4.322 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423052815 1096565289 /nfs/dbraw/zinc/56/52/89/1096565289.db2.gz RHQUYRDAGGQMIG-HNNXBMFYSA-N 1 3 359.464 4.143 20 0 FIADHO Fc1ccc2c(c1)[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089885 1096571356 /nfs/dbraw/zinc/57/13/56/1096571356.db2.gz WETDCLKTZGYCIL-URVUXULASA-N 1 3 352.453 4.049 20 0 FIADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000423115671 1096578079 /nfs/dbraw/zinc/57/80/79/1096578079.db2.gz YGUUZKOJTFJWEU-XNDYWVSOSA-N 1 3 358.570 4.352 20 0 FIADHO FC(F)(F)[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423122102 1096578898 /nfs/dbraw/zinc/57/88/98/1096578898.db2.gz KESWBENDVBKENL-SLFFLAALSA-N 1 3 362.439 4.491 20 0 FIADHO Fc1cccc2c1CCC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144513 1096595998 /nfs/dbraw/zinc/59/59/98/1096595998.db2.gz HHKHVYQQFBOOJY-ONTIZHBOSA-N 1 3 352.453 4.049 20 0 FIADHO COc1ccccc1[C@@H](NCCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423190853 1096611847 /nfs/dbraw/zinc/61/18/47/1096611847.db2.gz RSYRZFNJPMPYAD-QFIPXVFZSA-N 1 3 353.510 4.091 20 0 FIADHO CCCC[C@@H](C[NH3+])N[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423298610 1096644537 /nfs/dbraw/zinc/64/45/37/1096644537.db2.gz OTPPVXRSFRUNBR-ZWKOTPCHSA-N 1 3 369.347 4.024 20 0 FIADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000423508801 1096701744 /nfs/dbraw/zinc/70/17/44/1096701744.db2.gz OFBODZWTIFUPHH-ALKREAHSSA-N 1 3 359.311 4.256 20 0 FIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000423482052 1096703428 /nfs/dbraw/zinc/70/34/28/1096703428.db2.gz XONFIEMTHBGHFO-TVLQYADYSA-N 1 3 370.512 4.309 20 0 FIADHO COc1cc(OC)c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423496699 1096707977 /nfs/dbraw/zinc/70/79/77/1096707977.db2.gz FKDMDSNMELJTKH-KBXCAEBGSA-N 1 3 362.901 4.488 20 0 FIADHO NC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C2CC3CC(C2)CC1C3 ZINC000423530377 1096709261 /nfs/dbraw/zinc/70/92/61/1096709261.db2.gz RHIRQZLREOUVQO-RNVGKXKPSA-N 1 3 372.528 4.037 20 0 FIADHO Brc1ccc([C@H](NCCC2=CC[NH2+]CC2)c2ccco2)cc1 ZINC000423546137 1096718615 /nfs/dbraw/zinc/71/86/15/1096718615.db2.gz YTUPWCWSYFXVJK-SFHVURJKSA-N 1 3 361.283 4.031 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(NCc2cc3c(cccc3F)[nH]2)CC1 ZINC000436267449 1098862894 /nfs/dbraw/zinc/86/28/94/1098862894.db2.gz CQVQFTSTSUPBJA-UHFFFAOYSA-N 1 3 351.469 4.370 20 0 FIADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309929 1098945871 /nfs/dbraw/zinc/94/58/71/1098945871.db2.gz GTOKMHSWBWKSFH-UKRRQHHQSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000533309929 1098945874 /nfs/dbraw/zinc/94/58/74/1098945874.db2.gz GTOKMHSWBWKSFH-UKRRQHHQSA-N 1 3 372.340 4.127 20 0 FIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000515846349 1098978977 /nfs/dbraw/zinc/97/89/77/1098978977.db2.gz VUSQXTJGJACWER-JXFKEZNVSA-N 1 3 372.484 4.083 20 0 FIADHO CSCc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000614992642 1099494950 /nfs/dbraw/zinc/49/49/50/1099494950.db2.gz MJVHRKMKTUYXIJ-UHFFFAOYSA-N 1 3 370.562 4.314 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000161754346 1099533926 /nfs/dbraw/zinc/53/39/26/1099533926.db2.gz JMQJRGGICDYAJN-IBGZPJMESA-N 1 3 374.573 4.333 20 0 FIADHO C/C(=C/c1ccccc1OC(F)F)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000516689869 1099727676 /nfs/dbraw/zinc/72/76/76/1099727676.db2.gz LLWBASXNKNNBFG-PUYZDKHRSA-N 1 3 350.453 4.296 20 0 FIADHO C/C(=C/c1ccccc1OC(F)F)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000516689869 1099727683 /nfs/dbraw/zinc/72/76/83/1099727683.db2.gz LLWBASXNKNNBFG-PUYZDKHRSA-N 1 3 350.453 4.296 20 0 FIADHO CCOCc1ccccc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508694347 1099826032 /nfs/dbraw/zinc/82/60/32/1099826032.db2.gz CPYNMDKYTMWMRC-SIKLNZKXSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508694347 1099826042 /nfs/dbraw/zinc/82/60/42/1099826042.db2.gz CPYNMDKYTMWMRC-SIKLNZKXSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508694347 1099826050 /nfs/dbraw/zinc/82/60/50/1099826050.db2.gz CPYNMDKYTMWMRC-SIKLNZKXSA-N 1 3 352.522 4.223 20 0 FIADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1ccccc1F ZINC000508692886 1099826176 /nfs/dbraw/zinc/82/61/76/1099826176.db2.gz BPZUNCCJIVRRJS-QWFCFKBJSA-N 1 3 356.485 4.093 20 0 FIADHO CSc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162554873 1099841996 /nfs/dbraw/zinc/84/19/96/1099841996.db2.gz ASJCPOMYGNAREV-HNNXBMFYSA-N 1 3 362.514 4.339 20 0 FIADHO Clc1ccc([C@@H](Cc2cccnc2)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000516821831 1099848961 /nfs/dbraw/zinc/84/89/61/1099848961.db2.gz USSLRJLKRSRXCT-OAQYLSRUSA-N 1 3 355.913 4.235 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(Cl)c1 ZINC000162569391 1099863866 /nfs/dbraw/zinc/86/38/66/1099863866.db2.gz QKKMTWJPAHHBLL-CQSZACIVSA-N 1 3 350.865 4.270 20 0 FIADHO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000508713205 1099903679 /nfs/dbraw/zinc/90/36/79/1099903679.db2.gz SLLUZDUZQICUJO-REWPJTCUSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000508713205 1099903681 /nfs/dbraw/zinc/90/36/81/1099903681.db2.gz SLLUZDUZQICUJO-REWPJTCUSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000508713205 1099903686 /nfs/dbraw/zinc/90/36/86/1099903686.db2.gz SLLUZDUZQICUJO-REWPJTCUSA-N 1 3 374.532 4.181 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641988 1100264117 /nfs/dbraw/zinc/26/41/17/1100264117.db2.gz DQRXOHMWIOJNEL-HCLVMJGWSA-N 1 3 350.506 4.325 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000379641988 1100264129 /nfs/dbraw/zinc/26/41/29/1100264129.db2.gz DQRXOHMWIOJNEL-HCLVMJGWSA-N 1 3 350.506 4.325 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000459589241 1100330703 /nfs/dbraw/zinc/33/07/03/1100330703.db2.gz XYGFOMUQMWDAAY-JOCHJYFZSA-N 1 3 355.570 4.020 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000459589241 1100330712 /nfs/dbraw/zinc/33/07/12/1100330712.db2.gz XYGFOMUQMWDAAY-JOCHJYFZSA-N 1 3 355.570 4.020 20 0 FIADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1C(C)(C)C ZINC000536833635 1100345376 /nfs/dbraw/zinc/34/53/76/1100345376.db2.gz NXXMHVPAVJEIEU-KRWDZBQOSA-N 1 3 355.526 4.170 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000536857630 1100371072 /nfs/dbraw/zinc/37/10/72/1100371072.db2.gz LSVBYFLMPRIDOD-BZUAXINKSA-N 1 3 358.448 4.245 20 0 FIADHO Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000536861376 1100377652 /nfs/dbraw/zinc/37/76/52/1100377652.db2.gz CVKAMSAAHNCKCM-IBGZPJMESA-N 1 3 363.343 4.433 20 0 FIADHO CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000517827098 1100698040 /nfs/dbraw/zinc/69/80/40/1100698040.db2.gz PPLUTCOYZBAMTI-OAQYLSRUSA-N 1 3 357.542 4.122 20 0 FIADHO CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000517827097 1100698196 /nfs/dbraw/zinc/69/81/96/1100698196.db2.gz PPLUTCOYZBAMTI-NRFANRHFSA-N 1 3 357.542 4.122 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322398 1101267274 /nfs/dbraw/zinc/26/72/74/1101267274.db2.gz IQWAKACILAODOG-XNJGSVPQSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322398 1101267277 /nfs/dbraw/zinc/26/72/77/1101267277.db2.gz IQWAKACILAODOG-XNJGSVPQSA-N 1 3 351.332 4.145 20 0 FIADHO CC[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909354 1101333905 /nfs/dbraw/zinc/33/39/05/1101333905.db2.gz LKYRQEVSIGAFSE-BFYDXBDKSA-N 1 3 358.448 4.183 20 0 FIADHO CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)Oc1ccccc1C(F)(F)F ZINC000536909354 1101333918 /nfs/dbraw/zinc/33/39/18/1101333918.db2.gz LKYRQEVSIGAFSE-BFYDXBDKSA-N 1 3 358.448 4.183 20 0 FIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024562 1101402625 /nfs/dbraw/zinc/40/26/25/1101402625.db2.gz PVUUPHVVHNLJAW-GHTZIAJQSA-N 1 3 353.510 4.186 20 0 FIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001168166912 1101791990 /nfs/dbraw/zinc/79/19/90/1101791990.db2.gz NSXPIHOZOCPDSZ-KRWDZBQOSA-N 1 3 357.929 4.168 20 0 FIADHO CCOc1cc(CN2CCCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC001204742765 1102342910 /nfs/dbraw/zinc/34/29/10/1102342910.db2.gz UAZLBRSBLQNXOL-UHFFFAOYSA-N 1 3 356.432 4.070 20 0 FIADHO Cc1ccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1 ZINC000532461120 1102361300 /nfs/dbraw/zinc/36/13/00/1102361300.db2.gz ZRFKZPOPFRYBKG-CQSZACIVSA-N 1 3 365.949 4.264 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000121791669 1102437758 /nfs/dbraw/zinc/43/77/58/1102437758.db2.gz XVXOWEHJHRUBSR-JOCHJYFZSA-N 1 3 350.506 4.240 20 0 FIADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886439 1102658316 /nfs/dbraw/zinc/65/83/16/1102658316.db2.gz PDTVVMMAYCVIDK-RJGXRXQPSA-N 1 3 370.581 4.330 20 0 FIADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550886442 1102658672 /nfs/dbraw/zinc/65/86/72/1102658672.db2.gz PDTVVMMAYCVIDK-VJBWXMMDSA-N 1 3 370.581 4.330 20 0 FIADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263042 1102884290 /nfs/dbraw/zinc/88/42/90/1102884290.db2.gz TXJDBJUKPQNNND-FCEUIQTBSA-N 1 3 356.554 4.084 20 0 FIADHO CCC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550270764 1102902133 /nfs/dbraw/zinc/90/21/33/1102902133.db2.gz BRHBUOCCZNANJB-GTMAMOSYSA-N 1 3 370.581 4.474 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133011198 1102928274 /nfs/dbraw/zinc/92/82/74/1102928274.db2.gz SHGOWHAWPXISPN-MSOLQXFVSA-N 1 3 362.583 4.339 20 0 FIADHO CC1(C)Cc2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679961 1103042684 /nfs/dbraw/zinc/04/26/84/1103042684.db2.gz SJTAOMYWRGFNGH-GOSISDBHSA-N 1 3 370.562 4.463 20 0 FIADHO CC1(C)Cc2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc2O1 ZINC000729679961 1103042700 /nfs/dbraw/zinc/04/27/00/1103042700.db2.gz SJTAOMYWRGFNGH-GOSISDBHSA-N 1 3 370.562 4.463 20 0 FIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(OC)c(OC)c2C)cc1 ZINC000519843104 1103898106 /nfs/dbraw/zinc/89/81/06/1103898106.db2.gz PYDNVNLVHJSVSW-UHFFFAOYSA-N 1 3 356.510 4.144 20 0 FIADHO Clc1ccc(SCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397534 1104330839 /nfs/dbraw/zinc/33/08/39/1104330839.db2.gz WSNYSMXVGLJFSA-KXBFYZLASA-N 1 3 350.959 4.381 20 0 FIADHO Clc1ccc(SCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397534 1104330851 /nfs/dbraw/zinc/33/08/51/1104330851.db2.gz WSNYSMXVGLJFSA-KXBFYZLASA-N 1 3 350.959 4.381 20 0 FIADHO Clc1ccc(-c2cnc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976681 1104484034 /nfs/dbraw/zinc/48/40/34/1104484034.db2.gz RZXJLUBFSBBHOK-IAGOWNOFSA-N 1 3 359.901 4.207 20 0 FIADHO c1ccc(C[N@H+](C2CCOCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167995384 1104498300 /nfs/dbraw/zinc/49/83/00/1104498300.db2.gz DAEYUEBAPHQSRO-AIZNXBIQSA-N 1 3 354.538 4.073 20 0 FIADHO c1ccc(C[N@@H+](C2CCOCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167995384 1104498309 /nfs/dbraw/zinc/49/83/09/1104498309.db2.gz DAEYUEBAPHQSRO-AIZNXBIQSA-N 1 3 354.538 4.073 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000388829656 1105044506 /nfs/dbraw/zinc/04/45/06/1105044506.db2.gz WZJIUXFKGGPFMS-QKLQHJQFSA-N 1 3 356.485 4.396 20 0 FIADHO C[N@H+](CCOc1cccc(Cl)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000441629606 1105048534 /nfs/dbraw/zinc/04/85/34/1105048534.db2.gz XFWRRQOHGGAHNO-LJQANCHMSA-N 1 3 358.913 4.173 20 0 FIADHO C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000441629606 1105048541 /nfs/dbraw/zinc/04/85/41/1105048541.db2.gz XFWRRQOHGGAHNO-LJQANCHMSA-N 1 3 358.913 4.173 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152426454 1105173757 /nfs/dbraw/zinc/17/37/57/1105173757.db2.gz CRSFCTZBWZCCCZ-KBXCAEBGSA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000152426454 1105173765 /nfs/dbraw/zinc/17/37/65/1105173765.db2.gz CRSFCTZBWZCCCZ-KBXCAEBGSA-N 1 3 371.525 4.401 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000508204653 1105358303 /nfs/dbraw/zinc/35/83/03/1105358303.db2.gz IHDBRZNQAMWRHO-YRXWBPOGSA-N 1 3 357.542 4.118 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000508204653 1105358309 /nfs/dbraw/zinc/35/83/09/1105358309.db2.gz IHDBRZNQAMWRHO-YRXWBPOGSA-N 1 3 357.542 4.118 20 0 FIADHO CCOC(=O)C1(C)CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168065428 1106912537 /nfs/dbraw/zinc/91/25/37/1106912537.db2.gz VTUNQZVVONBFEM-RTBURBONSA-N 1 3 372.553 4.093 20 0 FIADHO N[C@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c2ccccc21 ZINC000530209559 1106913607 /nfs/dbraw/zinc/91/36/07/1106913607.db2.gz IQJYJOGXNSFYNN-VQTJNVASSA-N 1 3 366.509 4.127 20 0 FIADHO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000530544688 1107127299 /nfs/dbraw/zinc/12/72/99/1107127299.db2.gz UQUPTBAOKNHDNC-RCZSKKKRSA-N 1 3 350.506 4.319 20 0 FIADHO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000530544686 1107127365 /nfs/dbraw/zinc/12/73/65/1107127365.db2.gz UQUPTBAOKNHDNC-CZTZKLFOSA-N 1 3 350.506 4.319 20 0 FIADHO COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152434191 1107452508 /nfs/dbraw/zinc/45/25/08/1107452508.db2.gz KZVGBAQAQQCUGX-MBSDFSHPSA-N 1 3 368.496 4.192 20 0 FIADHO COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434191 1107452517 /nfs/dbraw/zinc/45/25/17/1107452517.db2.gz KZVGBAQAQQCUGX-MBSDFSHPSA-N 1 3 368.496 4.192 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152468530 1107775637 /nfs/dbraw/zinc/77/56/37/1107775637.db2.gz YSDKGPANRGLMSL-KDOFPFPSSA-N 1 3 371.525 4.401 20 0 FIADHO Fc1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152468530 1107775652 /nfs/dbraw/zinc/77/56/52/1107775652.db2.gz YSDKGPANRGLMSL-KDOFPFPSSA-N 1 3 371.525 4.401 20 0 FIADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000531705509 1108084380 /nfs/dbraw/zinc/08/43/80/1108084380.db2.gz CZEWRWWHWABVMI-KSFYIVLOSA-N 1 3 356.485 4.179 20 0 FIADHO CCn1ccnc1[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000453105152 1108173169 /nfs/dbraw/zinc/17/31/69/1108173169.db2.gz FFOJYIHYVIGBDY-INIZCTEOSA-N 1 3 360.933 4.119 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cc(-c3ccccc3)nn2C)c1 ZINC000453112016 1108179388 /nfs/dbraw/zinc/17/93/88/1108179388.db2.gz SJNBCNKBWMXDFE-SFHVURJKSA-N 1 3 362.521 4.390 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cc(-c3ccccc3)nn2C)c1 ZINC000453112016 1108179394 /nfs/dbraw/zinc/17/93/94/1108179394.db2.gz SJNBCNKBWMXDFE-SFHVURJKSA-N 1 3 362.521 4.390 20 0 FIADHO COC[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447563479 1109582974 /nfs/dbraw/zinc/58/29/74/1109582974.db2.gz QAAAYCKXEVCNRD-JLLPCOHGSA-N 1 3 364.533 4.029 20 0 FIADHO COC[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447563479 1109582977 /nfs/dbraw/zinc/58/29/77/1109582977.db2.gz QAAAYCKXEVCNRD-JLLPCOHGSA-N 1 3 364.533 4.029 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000449089065 1109977853 /nfs/dbraw/zinc/97/78/53/1109977853.db2.gz IUGMLVPUVCUJIA-UHDQLFAASA-N 1 3 367.306 4.051 20 0 FIADHO Fc1cc(Br)ccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000449089065 1109977856 /nfs/dbraw/zinc/97/78/56/1109977856.db2.gz IUGMLVPUVCUJIA-UHDQLFAASA-N 1 3 367.306 4.051 20 0 FIADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000449219041 1110000020 /nfs/dbraw/zinc/00/00/20/1110000020.db2.gz MCTFMFSQFBUYTE-WIYYLYMNSA-N 1 3 371.594 4.036 20 0 FIADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343041 1110035033 /nfs/dbraw/zinc/03/50/33/1110035033.db2.gz HFXDGLUAUMKDHU-PZJWPPBQSA-N 1 3 358.570 4.330 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCc1cccs1)c1ccccc1O2 ZINC000538307070 1111087679 /nfs/dbraw/zinc/08/76/79/1111087679.db2.gz SIOMOZJEKGWXFN-LJQANCHMSA-N 1 3 356.535 4.259 20 0 FIADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539218631 1111480503 /nfs/dbraw/zinc/48/05/03/1111480503.db2.gz XMPNSUFRAYNJDA-DNVJHFABSA-N 1 3 374.544 4.415 20 0 FIADHO Cc1ccc(NC(=O)C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)c(Cl)c1 ZINC000477918991 1111609349 /nfs/dbraw/zinc/60/93/49/1111609349.db2.gz QRXUZLRZFFRGDD-INIZCTEOSA-N 1 3 365.949 4.077 20 0 FIADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(Cl)c1 ZINC000477918991 1111609351 /nfs/dbraw/zinc/60/93/51/1111609351.db2.gz QRXUZLRZFFRGDD-INIZCTEOSA-N 1 3 365.949 4.077 20 0 FIADHO CC(C)C1CCC(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000552281377 1111658584 /nfs/dbraw/zinc/65/85/84/1111658584.db2.gz TYLINTIFHVNPSG-KXTRFFEISA-N 1 3 369.597 4.093 20 0 FIADHO CC(C)C1CCC(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000552281377 1111658590 /nfs/dbraw/zinc/65/85/90/1111658590.db2.gz TYLINTIFHVNPSG-KXTRFFEISA-N 1 3 369.597 4.093 20 0 FIADHO CCCN(C)[C@H](CNC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000552325374 1111670194 /nfs/dbraw/zinc/67/01/94/1111670194.db2.gz UDAWHMOMADYRRQ-HXUWFJFHSA-N 1 3 351.966 4.185 20 0 FIADHO Cc1cc(C)cc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000553149964 1111918553 /nfs/dbraw/zinc/91/85/53/1111918553.db2.gz RWKYXBCJFSUFMF-QFIPXVFZSA-N 1 3 364.533 4.424 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@@H]3CCCc4nn(C)cc43)cc2)C1 ZINC000479363206 1112006487 /nfs/dbraw/zinc/00/64/87/1112006487.db2.gz PKJZDGMOLBFEPQ-JBYIUTFZSA-N 1 3 366.553 4.065 20 0 FIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(C)(C)CN(C)C)s2)cc1 ZINC000479858107 1112164396 /nfs/dbraw/zinc/16/43/96/1112164396.db2.gz IGLFWHDMBUBOIW-AWEZNQCLSA-N 1 3 361.555 4.366 20 0 FIADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000480262514 1112365189 /nfs/dbraw/zinc/36/51/89/1112365189.db2.gz KONVUMRRPYCBCB-GOSISDBHSA-N 1 3 366.505 4.498 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000480604880 1112504979 /nfs/dbraw/zinc/50/49/79/1112504979.db2.gz GCOFDOOYFDFTKW-HZPDHXFCSA-N 1 3 352.494 4.148 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000480604880 1112504984 /nfs/dbraw/zinc/50/49/84/1112504984.db2.gz GCOFDOOYFDFTKW-HZPDHXFCSA-N 1 3 352.494 4.148 20 0 FIADHO CC[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC000480758757 1112589608 /nfs/dbraw/zinc/58/96/08/1112589608.db2.gz OKTFQRIHRBJFOW-QHCPKHFHSA-N 1 3 352.522 4.443 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000480832540 1112632026 /nfs/dbraw/zinc/63/20/26/1112632026.db2.gz KDTYQFKZPXUHBQ-DNVFCKCGSA-N 1 3 370.512 4.394 20 0 FIADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914693 1112668192 /nfs/dbraw/zinc/66/81/92/1112668192.db2.gz VFOMUZMYYHTFRX-YADARESESA-N 1 3 363.549 4.162 20 0 FIADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914692 1112668425 /nfs/dbraw/zinc/66/84/25/1112668425.db2.gz VFOMUZMYYHTFRX-NTKDMRAZSA-N 1 3 363.549 4.162 20 0 FIADHO CC(C)C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccs1 ZINC000480908246 1112672343 /nfs/dbraw/zinc/67/23/43/1112672343.db2.gz HPMVRVDPZVYMHN-NRFANRHFSA-N 1 3 371.594 4.373 20 0 FIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162866986 1112843035 /nfs/dbraw/zinc/84/30/35/1112843035.db2.gz VQXRRNULMZRFQQ-OWCLPIDISA-N 1 3 367.603 4.289 20 0 FIADHO COc1cccc2c1CC[C@H]2NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000481303880 1112879232 /nfs/dbraw/zinc/87/92/32/1112879232.db2.gz HMWDLGVRMKURLA-JOCHJYFZSA-N 1 3 350.506 4.245 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000481306787 1112880035 /nfs/dbraw/zinc/88/00/35/1112880035.db2.gz NAKMVCGROFNVTB-FQEVSTJZSA-N 1 3 374.532 4.496 20 0 FIADHO Cc1cc(Cl)cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000555586884 1112933251 /nfs/dbraw/zinc/93/32/51/1112933251.db2.gz JDNUMDAJYIVBJS-UHFFFAOYSA-N 1 3 358.913 4.411 20 0 FIADHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943030 1113136263 /nfs/dbraw/zinc/13/62/63/1113136263.db2.gz DYASQBIGVUHUCK-BAGYTPMASA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943030 1113136265 /nfs/dbraw/zinc/13/62/65/1113136265.db2.gz DYASQBIGVUHUCK-BAGYTPMASA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000481943030 1113136266 /nfs/dbraw/zinc/13/62/66/1113136266.db2.gz DYASQBIGVUHUCK-BAGYTPMASA-N 1 3 369.553 4.163 20 0 FIADHO c1csc(C[N@H+]2CCC[C@@H](CN[C@@H]3CCCOc4ccccc43)C2)c1 ZINC000482131241 1113184473 /nfs/dbraw/zinc/18/44/73/1113184473.db2.gz WWAVYYGBNOUZGL-FXAWDEMLSA-N 1 3 356.535 4.464 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@@H](CN[C@@H]3CCCOc4ccccc43)C2)c1 ZINC000482131241 1113184475 /nfs/dbraw/zinc/18/44/75/1113184475.db2.gz WWAVYYGBNOUZGL-FXAWDEMLSA-N 1 3 356.535 4.464 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1OC ZINC000482433639 1113253289 /nfs/dbraw/zinc/25/32/89/1113253289.db2.gz CWKVAGBFXQDVDK-RBBKRZOGSA-N 1 3 352.522 4.301 20 0 FIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CCCO2 ZINC000482438999 1113259991 /nfs/dbraw/zinc/25/99/91/1113259991.db2.gz NWLQIUWJEUXNBY-GMAHTHKFSA-N 1 3 364.533 4.363 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCSc4ccccc43)C2)cc1 ZINC000482454240 1113265290 /nfs/dbraw/zinc/26/52/90/1113265290.db2.gz WZHJONFODZVXLX-TZIWHRDSSA-N 1 3 352.547 4.378 20 0 FIADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000482519350 1113282803 /nfs/dbraw/zinc/28/28/03/1113282803.db2.gz NHNAGLWEJVAHSI-BEFAXECRSA-N 1 3 372.384 4.308 20 0 FIADHO COc1ccc([C@H](CCC(C)C)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000482558157 1113295466 /nfs/dbraw/zinc/29/54/66/1113295466.db2.gz NCYCQILMLXETFR-QFIPXVFZSA-N 1 3 374.569 4.407 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)COC2 ZINC000482870159 1113384071 /nfs/dbraw/zinc/38/40/71/1113384071.db2.gz DPGZVXAJSHFIKH-GOSISDBHSA-N 1 3 366.505 4.042 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(F)cc(F)c1 ZINC000482868917 1113388751 /nfs/dbraw/zinc/38/87/51/1113388751.db2.gz MGEFKFRBSAWIHZ-INIZCTEOSA-N 1 3 360.448 4.290 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486535283 1113591311 /nfs/dbraw/zinc/59/13/11/1113591311.db2.gz JBOBSMPTCQVGHJ-XLIONFOSSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486535284 1113591353 /nfs/dbraw/zinc/59/13/53/1113591353.db2.gz JBOBSMPTCQVGHJ-YLJYHZDGSA-N 1 3 374.475 4.331 20 0 FIADHO c1ccc2sc(C3CC[NH+](C4CCN(CC5CC5)CC4)CC3)nc2c1 ZINC001168393185 1114824855 /nfs/dbraw/zinc/82/48/55/1114824855.db2.gz YXPIROXXOOLAQL-UHFFFAOYSA-N 1 3 355.551 4.350 20 0 FIADHO c1c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2n1Cc1ccccc1 ZINC000590611267 1114952930 /nfs/dbraw/zinc/95/29/30/1114952930.db2.gz DTLBNZVGTCDUOR-FQEVSTJZSA-N 1 3 359.517 4.264 20 0 FIADHO CCOc1cc2nccc(N3CCC[C@H]([NH+]4CCCC4)C3)c2cc1OCC ZINC000591652204 1115119536 /nfs/dbraw/zinc/11/95/36/1115119536.db2.gz ULLSATLCRLIKTI-KRWDZBQOSA-N 1 3 369.509 4.097 20 0 FIADHO CN1CC[C@H]([NH2+][C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1(C)C ZINC000598982736 1115775639 /nfs/dbraw/zinc/77/56/39/1115775639.db2.gz YRRRQVYFWIHYPG-ZYSHUDEJSA-N 1 3 358.526 4.019 20 0 FIADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168416403 1115854339 /nfs/dbraw/zinc/85/43/39/1115854339.db2.gz XTNUGXBSJNNDIY-FQEVSTJZSA-N 1 3 372.915 4.372 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C(F)F)cc2)CC1 ZINC000462658702 1116383932 /nfs/dbraw/zinc/38/39/32/1116383932.db2.gz PXWUVAVJHGGMBB-UHFFFAOYSA-N 1 3 373.491 4.446 20 0 FIADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539852018 1116392944 /nfs/dbraw/zinc/39/29/44/1116392944.db2.gz JTFZZIZZZKFTTI-UHFFFAOYSA-N 1 3 360.590 4.343 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000539898431 1117740516 /nfs/dbraw/zinc/74/05/16/1117740516.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 1 3 369.597 4.093 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000539898431 1117740517 /nfs/dbraw/zinc/74/05/17/1117740517.db2.gz QTBJBCQNBOVJRK-JTHBVZDNSA-N 1 3 369.597 4.093 20 0 FIADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC000540142636 1117894596 /nfs/dbraw/zinc/89/45/96/1117894596.db2.gz CNJBIYHYIAAZBH-KRWDZBQOSA-N 1 3 355.526 4.170 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147898 1117991806 /nfs/dbraw/zinc/99/18/06/1117991806.db2.gz REZNAWDKNMGREZ-CVDCTZTESA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147898 1117991809 /nfs/dbraw/zinc/99/18/09/1117991809.db2.gz REZNAWDKNMGREZ-CVDCTZTESA-N 1 3 352.522 4.366 20 0 FIADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394210 1118028110 /nfs/dbraw/zinc/02/81/10/1118028110.db2.gz IZUOSPRGEGLDIJ-KSZLIROESA-N 1 3 373.566 4.003 20 0 FIADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccs1 ZINC000540394210 1118028117 /nfs/dbraw/zinc/02/81/17/1118028117.db2.gz IZUOSPRGEGLDIJ-KSZLIROESA-N 1 3 373.566 4.003 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1O2 ZINC000540468503 1118083682 /nfs/dbraw/zinc/08/36/82/1118083682.db2.gz SYQDQOAWJYIUIJ-NRFANRHFSA-N 1 3 366.505 4.033 20 0 FIADHO C[C@@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)Oc1ccccc1 ZINC000540493479 1118091687 /nfs/dbraw/zinc/09/16/87/1118091687.db2.gz BAMTVGHIAHMYNP-GHTZIAJQSA-N 1 3 366.505 4.032 20 0 FIADHO Cc1ccc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 ZINC000540501756 1118103795 /nfs/dbraw/zinc/10/37/95/1118103795.db2.gz SELNPTZBEIIAEO-OAQYLSRUSA-N 1 3 350.506 4.115 20 0 FIADHO CC(C)[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000540645825 1118172375 /nfs/dbraw/zinc/17/23/75/1118172375.db2.gz LITWJRXMBDJTHM-VGOFRKELSA-N 1 3 356.510 4.220 20 0 FIADHO Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)C2 ZINC001168438341 1118548143 /nfs/dbraw/zinc/54/81/43/1118548143.db2.gz ADVOLQWGTKIUTO-HSZRJFAPSA-N 1 3 364.508 4.281 20 0 FIADHO CC[N@H+](C)C[C@@H]1CCN(CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699696 /nfs/dbraw/zinc/69/96/96/1118699696.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 1 3 351.332 4.126 20 0 FIADHO CC[N@@H+](C)C[C@@H]1CCN(CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699697 /nfs/dbraw/zinc/69/96/97/1118699697.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699699 /nfs/dbraw/zinc/69/96/99/1118699699.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 1 3 351.332 4.126 20 0 FIADHO CCN(C)C[C@@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000464791422 1118699702 /nfs/dbraw/zinc/69/97/02/1118699702.db2.gz TWRVHSBXBYWBJU-AATOQMJSSA-N 1 3 351.332 4.126 20 0 FIADHO CC[N@H+](C)C[C@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699917 /nfs/dbraw/zinc/69/99/17/1118699917.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CC[N@@H+](C)C[C@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699919 /nfs/dbraw/zinc/69/99/19/1118699919.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CCN(C)C[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699921 /nfs/dbraw/zinc/69/99/21/1118699921.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CCN(C)C[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791401 1118699924 /nfs/dbraw/zinc/69/99/24/1118699924.db2.gz SSEHWKSZHYYQHN-MRXNPFEDSA-N 1 3 358.448 4.138 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852973 1118987177 /nfs/dbraw/zinc/98/71/77/1118987177.db2.gz PBFWUKMFNAOXBG-LBVMUVSTSA-N 1 3 352.522 4.405 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491852973 1118987178 /nfs/dbraw/zinc/98/71/78/1118987178.db2.gz PBFWUKMFNAOXBG-LBVMUVSTSA-N 1 3 352.522 4.405 20 0 FIADHO CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311704810 1119385242 /nfs/dbraw/zinc/38/52/42/1119385242.db2.gz VAQGWMPFZFZQKZ-SIKLNZKXSA-N 1 3 352.522 4.474 20 0 FIADHO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311994857 1119397096 /nfs/dbraw/zinc/39/70/96/1119397096.db2.gz SSARSCPBBXKVOU-VQIMIIECSA-N 1 3 360.448 4.288 20 0 FIADHO CN(Cc1ccco1)Cc1ccccc1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000178782191 1119408577 /nfs/dbraw/zinc/40/85/77/1119408577.db2.gz WSUAJOKJVLRKCW-UHFFFAOYSA-N 1 3 369.553 4.264 20 0 FIADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cn1 ZINC000190760940 1119947957 /nfs/dbraw/zinc/94/79/57/1119947957.db2.gz AHQYINNFLLFBOI-UHFFFAOYSA-N 1 3 354.542 4.056 20 0 FIADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000190760940 1119947960 /nfs/dbraw/zinc/94/79/60/1119947960.db2.gz AHQYINNFLLFBOI-UHFFFAOYSA-N 1 3 354.542 4.056 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136421 1120120245 /nfs/dbraw/zinc/12/02/45/1120120245.db2.gz SVKGHSHVDXGSST-NZQKXSOJSA-N 1 3 374.532 4.104 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000195136435 1120120408 /nfs/dbraw/zinc/12/04/08/1120120408.db2.gz SVKGHSHVDXGSST-NFBKMPQASA-N 1 3 374.532 4.104 20 0 FIADHO C[N@H+](CCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882555 1120356390 /nfs/dbraw/zinc/35/63/90/1120356390.db2.gz ZVHNQTKTABTBJB-REWPJTCUSA-N 1 3 370.512 4.405 20 0 FIADHO C[N@@H+](CCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882555 1120356394 /nfs/dbraw/zinc/35/63/94/1120356394.db2.gz ZVHNQTKTABTBJB-REWPJTCUSA-N 1 3 370.512 4.405 20 0 FIADHO CC[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1OC ZINC000915228550 1120883871 /nfs/dbraw/zinc/88/38/71/1120883871.db2.gz FOYXHDJAHANNLW-JOCHJYFZSA-N 1 3 368.521 4.411 20 0 FIADHO Cc1cc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000397541032 1121213814 /nfs/dbraw/zinc/21/38/14/1121213814.db2.gz AWRHWFSDIAEFEW-QGZVFWFLSA-N 1 3 358.551 4.043 20 0 FIADHO Brc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166262903 1121466276 /nfs/dbraw/zinc/46/62/76/1121466276.db2.gz KXZMXNJILWYYTB-QZTJIDSGSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166262903 1121466281 /nfs/dbraw/zinc/46/62/81/1121466281.db2.gz KXZMXNJILWYYTB-QZTJIDSGSA-N 1 3 363.343 4.087 20 0 FIADHO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000671759910 1121785224 /nfs/dbraw/zinc/78/52/24/1121785224.db2.gz UWRGRCYEJTXCID-FRQCXROJSA-N 1 3 365.477 4.095 20 0 FIADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000125614277 1121797640 /nfs/dbraw/zinc/79/76/40/1121797640.db2.gz AQNVUVGRPVRVIY-CVEARBPZSA-N 1 3 358.555 4.286 20 0 FIADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000125894881 1121863636 /nfs/dbraw/zinc/86/36/36/1121863636.db2.gz JXZSWGRMBAHIIS-XLIONFOSSA-N 1 3 372.557 4.016 20 0 FIADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126185489 1121930716 /nfs/dbraw/zinc/93/07/16/1121930716.db2.gz FZZPHGWCKHZKED-CVDCTZTESA-N 1 3 374.532 4.028 20 0 FIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126185489 1121930721 /nfs/dbraw/zinc/93/07/21/1121930721.db2.gz FZZPHGWCKHZKED-CVDCTZTESA-N 1 3 374.532 4.028 20 0 FIADHO COc1ccc(OC(F)F)c(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000497291877 1122005139 /nfs/dbraw/zinc/00/51/39/1122005139.db2.gz FLWWNOPHNREKOP-IYBDPMFKSA-N 1 3 370.484 4.144 20 0 FIADHO COc1ccc(OC(F)F)c(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000497291877 1122005144 /nfs/dbraw/zinc/00/51/44/1122005144.db2.gz FLWWNOPHNREKOP-IYBDPMFKSA-N 1 3 370.484 4.144 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897564 1122025066 /nfs/dbraw/zinc/02/50/66/1122025066.db2.gz QPNGAUWOCLDJJS-HOTGVXAUSA-N 1 3 358.507 4.040 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126897564 1122025073 /nfs/dbraw/zinc/02/50/73/1122025073.db2.gz QPNGAUWOCLDJJS-HOTGVXAUSA-N 1 3 358.507 4.040 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCOCC2CCC2)cc1CN1CCCCC1 ZINC000765812733 1122104034 /nfs/dbraw/zinc/10/40/34/1122104034.db2.gz XSPPETBQPITHNT-SFHVURJKSA-N 1 3 360.542 4.148 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178779 1122717689 /nfs/dbraw/zinc/71/76/89/1122717689.db2.gz ISLFBGVYDQMBFL-SIKLNZKXSA-N 1 3 366.505 4.036 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178779 1122717691 /nfs/dbraw/zinc/71/76/91/1122717691.db2.gz ISLFBGVYDQMBFL-SIKLNZKXSA-N 1 3 366.505 4.036 20 0 FIADHO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230588 1122757127 /nfs/dbraw/zinc/75/71/27/1122757127.db2.gz OUFMFCHCHOHKOT-YADHBBJMSA-N 1 3 370.581 4.474 20 0 FIADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230726 1122757418 /nfs/dbraw/zinc/75/74/18/1122757418.db2.gz ANFIPZXFMCDWRS-VJBWXMMDSA-N 1 3 370.581 4.474 20 0 FIADHO CCCOc1cccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000556409081 1122874854 /nfs/dbraw/zinc/87/48/54/1122874854.db2.gz PVTMYAANSNIEFO-UHFFFAOYSA-N 1 3 368.521 4.238 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868736 1123149829 /nfs/dbraw/zinc/14/98/29/1123149829.db2.gz BTXXJEGSSDPJQC-KSSFIOAISA-N 1 3 356.432 4.358 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868736 1123149830 /nfs/dbraw/zinc/14/98/30/1123149830.db2.gz BTXXJEGSSDPJQC-KSSFIOAISA-N 1 3 356.432 4.358 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868735 1123149859 /nfs/dbraw/zinc/14/98/59/1123149859.db2.gz BTXXJEGSSDPJQC-KDOFPFPSSA-N 1 3 356.432 4.358 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000556868735 1123149861 /nfs/dbraw/zinc/14/98/61/1123149861.db2.gz BTXXJEGSSDPJQC-KDOFPFPSSA-N 1 3 356.432 4.358 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCc4ccccn4)[C@@H]3C2)cc1 ZINC000556887497 1123163885 /nfs/dbraw/zinc/16/38/85/1123163885.db2.gz YKBVIFKIDPXNGC-QPTUXGOLSA-N 1 3 363.549 4.295 20 0 FIADHO CC(C)CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000556889926 1123177480 /nfs/dbraw/zinc/17/74/80/1123177480.db2.gz KVFYDOCECGMMFE-YADHBBJMSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000556889926 1123177482 /nfs/dbraw/zinc/17/74/82/1123177482.db2.gz KVFYDOCECGMMFE-YADHBBJMSA-N 1 3 356.510 4.113 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4(c5ccccn5)CCC4)[C@H]3C2)cc1 ZINC000556925576 1123226425 /nfs/dbraw/zinc/22/64/25/1123226425.db2.gz VGDWAZLWPUJYIH-FDFHNCONSA-N 1 3 361.533 4.004 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000132426859 1123255850 /nfs/dbraw/zinc/25/58/50/1123255850.db2.gz JQVQAJMRHDVLLO-GOSISDBHSA-N 1 3 363.427 4.329 20 0 FIADHO C[C@@H]1CCCC[C@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499158120 1123298250 /nfs/dbraw/zinc/29/82/50/1123298250.db2.gz RSQKKRXQADZBKE-DODNOZFWSA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H]1CCCC[C@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499158120 1123298258 /nfs/dbraw/zinc/29/82/58/1123298258.db2.gz RSQKKRXQADZBKE-DODNOZFWSA-N 1 3 356.554 4.367 20 0 FIADHO C[C@@H](COc1cccc(F)c1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499159596 1123299471 /nfs/dbraw/zinc/29/94/71/1123299471.db2.gz VRKNKJOJRZMVDW-AGOPTVSRSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](COc1cccc(F)c1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159596 1123299473 /nfs/dbraw/zinc/29/94/73/1123299473.db2.gz VRKNKJOJRZMVDW-AGOPTVSRSA-N 1 3 368.496 4.378 20 0 FIADHO CC[N@H+](CCCC1CCN(Cc2cncs2)CC1)Cc1cncs1 ZINC000660153237 1123306628 /nfs/dbraw/zinc/30/66/28/1123306628.db2.gz ARARQPFAEXQJTF-UHFFFAOYSA-N 1 3 364.584 4.114 20 0 FIADHO CC[N@@H+](CCCC1CCN(Cc2cncs2)CC1)Cc1cncs1 ZINC000660153237 1123306634 /nfs/dbraw/zinc/30/66/34/1123306634.db2.gz ARARQPFAEXQJTF-UHFFFAOYSA-N 1 3 364.584 4.114 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235275 1123343007 /nfs/dbraw/zinc/34/30/07/1123343007.db2.gz PYZPTCJQGFDWIY-AYWYSENESA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1F ZINC000499235275 1123343010 /nfs/dbraw/zinc/34/30/10/1123343010.db2.gz PYZPTCJQGFDWIY-AYWYSENESA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](N[C@H]1CCCOc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000133525231 1123496091 /nfs/dbraw/zinc/49/60/91/1123496091.db2.gz PGIAEJVMFWCENG-UTKZUKDTSA-N 1 3 354.494 4.192 20 0 FIADHO C[C@H](CCN1CCSC2(CCC2)CC1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868470 1124042344 /nfs/dbraw/zinc/04/23/44/1124042344.db2.gz KQSLEGISMRJBGC-GOSISDBHSA-N 1 3 368.656 4.488 20 0 FIADHO C[C@H](CCN1CCSC2(CCC2)CC1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411868470 1124042350 /nfs/dbraw/zinc/04/23/50/1124042350.db2.gz KQSLEGISMRJBGC-GOSISDBHSA-N 1 3 368.656 4.488 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474598286 1124217057 /nfs/dbraw/zinc/21/70/57/1124217057.db2.gz KQQQNQVHQDQRTG-ZGOKBZQCSA-N 1 3 364.496 4.223 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCCC5)C4)[C@H]3C2)cc1 ZINC000248394678 1124760579 /nfs/dbraw/zinc/76/05/79/1124760579.db2.gz FSSFORPZGSYMIX-BJESRGMDSA-N 1 3 368.565 4.369 20 0 FIADHO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1F ZINC000248874415 1124820853 /nfs/dbraw/zinc/82/08/53/1124820853.db2.gz LIUSHFYNYKPVBB-LNLFQRSKSA-N 1 3 362.533 4.256 20 0 FIADHO CC(C)Sc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090936986 1125028434 /nfs/dbraw/zinc/02/84/34/1125028434.db2.gz UHWLLSSNRRGOGH-QGZVFWFLSA-N 1 3 373.566 4.373 20 0 FIADHO COc1ccccc1[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000091343538 1125067252 /nfs/dbraw/zinc/06/72/52/1125067252.db2.gz HWIHFHSBTVYVNV-WZONZLPQSA-N 1 3 372.553 4.017 20 0 FIADHO Cc1nc2c(s1)[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000359892380 534635031 /nfs/dbraw/zinc/63/50/31/534635031.db2.gz BGIUMOSVYZZDAZ-RDTXWAMCSA-N 1 3 359.539 4.120 20 0 FIADHO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644121 1125470448 /nfs/dbraw/zinc/47/04/48/1125470448.db2.gz HWXPMZNUASFROC-XLIONFOSSA-N 1 3 368.521 4.285 20 0 FIADHO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644121 1125470450 /nfs/dbraw/zinc/47/04/50/1125470450.db2.gz HWXPMZNUASFROC-XLIONFOSSA-N 1 3 368.521 4.285 20 0 FIADHO CC(=O)Nc1ccccc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093844591 1125533135 /nfs/dbraw/zinc/53/31/35/1125533135.db2.gz HTAIBSPYJDSYLC-SFHVURJKSA-N 1 3 357.542 4.122 20 0 FIADHO CC(=O)Nc1ccccc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844591 1125533139 /nfs/dbraw/zinc/53/31/39/1125533139.db2.gz HTAIBSPYJDSYLC-SFHVURJKSA-N 1 3 357.542 4.122 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1C(F)(F)F ZINC000067249713 1080080836 /nfs/dbraw/zinc/08/08/36/1080080836.db2.gz YGMDBLUWNQFDAS-OAHLLOKOSA-N 1 3 366.427 4.497 20 0 FIADHO COc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000180459586 1080502050 /nfs/dbraw/zinc/50/20/50/1080502050.db2.gz BVNIKHMUZOBNGJ-OAQYLSRUSA-N 1 3 358.913 4.369 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117310 1080789149 /nfs/dbraw/zinc/78/91/49/1080789149.db2.gz GDRCECOQIDCALW-NLSFWIRASA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000398117310 1080789156 /nfs/dbraw/zinc/78/91/56/1080789156.db2.gz GDRCECOQIDCALW-NLSFWIRASA-N 1 3 350.506 4.183 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165707 1080816371 /nfs/dbraw/zinc/81/63/71/1080816371.db2.gz TUZWWDZQUMCFOE-PBHICJAKSA-N 1 3 363.299 4.042 20 0 FIADHO C[NH+]1CCC(N[C@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000123697845 1081522240 /nfs/dbraw/zinc/52/22/40/1081522240.db2.gz XLICAMGKZQSNEB-OALUTQOASA-N 1 3 367.940 4.077 20 0 FIADHO CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000312782673 1081840848 /nfs/dbraw/zinc/84/08/48/1081840848.db2.gz ASJLKICJBLSYOD-WIYYLYMNSA-N 1 3 368.521 4.094 20 0 FIADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000089582484 1081934622 /nfs/dbraw/zinc/93/46/22/1081934622.db2.gz VILQQVNWSVQOFL-VNQPRFMTSA-N 1 3 369.372 4.146 20 0 FIADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000089582484 1081934625 /nfs/dbraw/zinc/93/46/25/1081934625.db2.gz VILQQVNWSVQOFL-VNQPRFMTSA-N 1 3 369.372 4.146 20 0 FIADHO Cc1cccc2c1OC[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000581101572 1082315464 /nfs/dbraw/zinc/31/54/64/1082315464.db2.gz MIZVAHPDPPJFQF-CWBXHPNXSA-N 1 3 362.517 4.084 20 0 FIADHO Cc1cccc2c1OC[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000581101572 1082315468 /nfs/dbraw/zinc/31/54/68/1082315468.db2.gz MIZVAHPDPPJFQF-CWBXHPNXSA-N 1 3 362.517 4.084 20 0 FIADHO CCOCc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000581574978 1082672414 /nfs/dbraw/zinc/67/24/14/1082672414.db2.gz WQRRPOGTESFBRC-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574978 1082672420 /nfs/dbraw/zinc/67/24/20/1082672420.db2.gz WQRRPOGTESFBRC-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000581574978 1082672427 /nfs/dbraw/zinc/67/24/27/1082672427.db2.gz WQRRPOGTESFBRC-WMZHIEFXSA-N 1 3 352.522 4.223 20 0 FIADHO Clc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000656682895 1082714349 /nfs/dbraw/zinc/71/43/49/1082714349.db2.gz HWYHNIDKPQBROB-NRFANRHFSA-N 1 3 355.913 4.224 20 0 FIADHO Fc1cc(-c2ccncc2)ccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787515 1082771215 /nfs/dbraw/zinc/77/12/15/1082771215.db2.gz ZWKSHGQZGQNMBC-HXUWFJFHSA-N 1 3 353.485 4.099 20 0 FIADHO CO[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000684378133 1082794022 /nfs/dbraw/zinc/79/40/22/1082794022.db2.gz ZBNCPVHJRHBYKW-RBUKOAKNSA-N 1 3 350.934 4.099 20 0 FIADHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccsc1 ZINC000090971344 1083097219 /nfs/dbraw/zinc/09/72/19/1083097219.db2.gz CZSFSUZDGCPAKR-KRWDZBQOSA-N 1 3 355.551 4.131 20 0 FIADHO CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000548483603 1083466680 /nfs/dbraw/zinc/46/66/80/1083466680.db2.gz VLXBSXCSTKXHLL-PXNSSMCTSA-N 1 3 356.485 4.225 20 0 FIADHO c1[nH]nc2c1cccc2C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000535808497 1083694095 /nfs/dbraw/zinc/69/40/95/1083694095.db2.gz IKYBXVNTYPRJTK-UNMCSNQZSA-N 1 3 360.505 4.049 20 0 FIADHO c1[nH]nc2c1cccc2C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000535808497 1083694098 /nfs/dbraw/zinc/69/40/98/1083694098.db2.gz IKYBXVNTYPRJTK-UNMCSNQZSA-N 1 3 360.505 4.049 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2cccs2)c1 ZINC000065976545 1083904038 /nfs/dbraw/zinc/90/40/38/1083904038.db2.gz LGEQHXOAFGEEED-UHFFFAOYSA-N 1 3 354.523 4.268 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2cccs2)c1 ZINC000065976545 1083904042 /nfs/dbraw/zinc/90/40/42/1083904042.db2.gz LGEQHXOAFGEEED-UHFFFAOYSA-N 1 3 354.523 4.268 20 0 FIADHO c1c2cnccc2oc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000651648623 1085288618 /nfs/dbraw/zinc/28/86/18/1085288618.db2.gz DHVLANKJFNGZAM-UHFFFAOYSA-N 1 3 361.489 4.316 20 0 FIADHO c1c2cnccc2oc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000651648623 1085288622 /nfs/dbraw/zinc/28/86/22/1085288622.db2.gz DHVLANKJFNGZAM-UHFFFAOYSA-N 1 3 361.489 4.316 20 0 FIADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@H]2C)c2ccccc21 ZINC000549528412 1085366991 /nfs/dbraw/zinc/36/69/91/1085366991.db2.gz XZARLXYKYMHOPJ-UIFIKXQLSA-N 1 3 358.526 4.022 20 0 FIADHO COc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000582681515 1085367503 /nfs/dbraw/zinc/36/75/03/1085367503.db2.gz YIWUAVMEGBNDOG-RYRKJORJSA-N 1 3 373.928 4.305 20 0 FIADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)c2ccccc21 ZINC000549528413 1085367801 /nfs/dbraw/zinc/36/78/01/1085367801.db2.gz XZARLXYKYMHOPJ-WMQCIHAUSA-N 1 3 358.526 4.022 20 0 FIADHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccc(OC)c(OC)c1 ZINC000123929549 1085400101 /nfs/dbraw/zinc/40/01/01/1085400101.db2.gz JLHCKDRXYHQIGS-HXUWFJFHSA-N 1 3 356.510 4.396 20 0 FIADHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccc(OC)c(OC)c1 ZINC000123929549 1085400106 /nfs/dbraw/zinc/40/01/06/1085400106.db2.gz JLHCKDRXYHQIGS-HXUWFJFHSA-N 1 3 356.510 4.396 20 0 FIADHO c1ccc(COc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)cc1 ZINC000236718784 1085505396 /nfs/dbraw/zinc/50/53/96/1085505396.db2.gz SSOZHQDBXAMPFW-UHFFFAOYSA-N 1 3 350.506 4.230 20 0 FIADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000657595928 1085664746 /nfs/dbraw/zinc/66/47/46/1085664746.db2.gz SSFMWTRWLWSYKY-RUZDIDTESA-N 1 3 372.512 4.210 20 0 FIADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000657595928 1085664752 /nfs/dbraw/zinc/66/47/52/1085664752.db2.gz SSFMWTRWLWSYKY-RUZDIDTESA-N 1 3 372.512 4.210 20 0 FIADHO C[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000657612680 1085698167 /nfs/dbraw/zinc/69/81/67/1085698167.db2.gz CIGQHTYPODBEEO-QGZVFWFLSA-N 1 3 357.929 4.340 20 0 FIADHO CCSc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613825 1085700169 /nfs/dbraw/zinc/70/01/69/1085700169.db2.gz RWFWKKYINXUOPE-UHFFFAOYSA-N 1 3 355.551 4.195 20 0 FIADHO COc1ccc([C@H](N[C@@H](C)C2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000090772239 1085882545 /nfs/dbraw/zinc/88/25/45/1085882545.db2.gz HERVJGPRHBBXKN-SBUREZEXSA-N 1 3 368.521 4.113 20 0 FIADHO Clc1ccc(-c2cnc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662295985 1086401580 /nfs/dbraw/zinc/40/15/80/1086401580.db2.gz JPTDAFQCXQCXPM-KRWDZBQOSA-N 1 3 359.901 4.207 20 0 FIADHO c1ccc(NC2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)nc1 ZINC000663471415 1086577577 /nfs/dbraw/zinc/57/75/77/1086577577.db2.gz FEOBEQYZILYZSC-UHFFFAOYSA-N 1 3 364.537 4.144 20 0 FIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432438976 1086770259 /nfs/dbraw/zinc/77/02/59/1086770259.db2.gz DYVYDLPALHEXSN-XYQBIQKZSA-N 1 3 351.332 4.158 20 0 FIADHO C[NH2+]Cc1ccccc1CNCc1ccc(Cl)c(Br)c1 ZINC000650719386 1086802402 /nfs/dbraw/zinc/80/24/02/1086802402.db2.gz ODWMHEUTHDYJAC-UHFFFAOYSA-N 1 3 353.691 4.112 20 0 FIADHO COc1ccsc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771825 1086821761 /nfs/dbraw/zinc/82/17/61/1086821761.db2.gz GVJXZXCJNLJWMT-GOSISDBHSA-N 1 3 356.535 4.149 20 0 FIADHO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)n1 ZINC000583663671 1086907134 /nfs/dbraw/zinc/90/71/34/1086907134.db2.gz QEXOWUIFHAMUMQ-UNMCSNQZSA-N 1 3 368.569 4.287 20 0 FIADHO c1cc2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2s1 ZINC000650741073 1086915901 /nfs/dbraw/zinc/91/59/01/1086915901.db2.gz XFOGQYLMWBGZAI-RXVVDRJESA-N 1 3 350.487 4.247 20 0 FIADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2F)s1 ZINC000151362707 1087093266 /nfs/dbraw/zinc/09/32/66/1087093266.db2.gz WFMFQNADDULKDR-OAHLLOKOSA-N 1 3 362.514 4.052 20 0 FIADHO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000089515659 1087395055 /nfs/dbraw/zinc/39/50/55/1087395055.db2.gz OGRXDRSSHPUZKG-KRWDZBQOSA-N 1 3 362.583 4.420 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000658165694 1087760074 /nfs/dbraw/zinc/76/00/74/1087760074.db2.gz KCKWIOGVGLAGQA-QFIPXVFZSA-N 1 3 353.510 4.043 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnc2ccsc2c1 ZINC000658167926 1087761391 /nfs/dbraw/zinc/76/13/91/1087761391.db2.gz USTMVAKOIZMEDO-MRXNPFEDSA-N 1 3 366.534 4.254 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)c(F)c1 ZINC000658166290 1087761987 /nfs/dbraw/zinc/76/19/87/1087761987.db2.gz NNSRPLMGCAKZNV-OAHLLOKOSA-N 1 3 361.892 4.437 20 0 FIADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168764 1087764999 /nfs/dbraw/zinc/76/49/99/1087764999.db2.gz YNYVOXFADKXTAB-SFHVURJKSA-N 1 3 355.501 4.044 20 0 FIADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424299977 1087904653 /nfs/dbraw/zinc/90/46/53/1087904653.db2.gz WIPQLYAIALFVON-CQSZACIVSA-N 1 3 361.942 4.428 20 0 FIADHO FC(F)(F)c1ccc(-c2nc(CNCC[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414831746 1088374890 /nfs/dbraw/zinc/37/48/90/1088374890.db2.gz DPDNIHWSBHISMZ-ZDUSSCGKSA-N 1 3 369.456 4.308 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000659284823 1088421726 /nfs/dbraw/zinc/42/17/26/1088421726.db2.gz HQIDJRNTLLIJSR-VGSWGCGISA-N 1 3 363.505 4.092 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)C1 ZINC000659284823 1088421731 /nfs/dbraw/zinc/42/17/31/1088421731.db2.gz HQIDJRNTLLIJSR-VGSWGCGISA-N 1 3 363.505 4.092 20 0 FIADHO COc1ccccc1-c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059371 1089096203 /nfs/dbraw/zinc/09/62/03/1089096203.db2.gz WTXIQLRFNYGQDB-RBBKRZOGSA-N 1 3 350.506 4.326 20 0 FIADHO COCc1cccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435420495 1089635376 /nfs/dbraw/zinc/63/53/76/1089635376.db2.gz DGEZRDWOKKFGSO-FQEVSTJZSA-N 1 3 356.535 4.039 20 0 FIADHO CC[NH+]1CCC(N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000312305920 1090526759 /nfs/dbraw/zinc/52/67/59/1090526759.db2.gz ZCKLDHLLWACQOZ-FQEVSTJZSA-N 1 3 373.541 4.485 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000040227585 1091842653 /nfs/dbraw/zinc/84/26/53/1091842653.db2.gz QOZXMKQYMTWQMG-QGZVFWFLSA-N 1 3 351.332 4.289 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012505 1092339618 /nfs/dbraw/zinc/33/96/18/1092339618.db2.gz BCRBKECNTXGBTO-RUMRUAAYSA-N 1 3 365.565 4.150 20 0 FIADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442878371 1092833819 /nfs/dbraw/zinc/83/38/19/1092833819.db2.gz STOBOLKHNKLYSG-GOSISDBHSA-N 1 3 371.491 4.018 20 0 FIADHO Cc1ccc(NC(=O)C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCCC2)cc1C ZINC000246242238 1092942689 /nfs/dbraw/zinc/94/26/89/1092942689.db2.gz GICPCLIEOXADKA-CTNGQTDRSA-N 1 3 369.553 4.019 20 0 FIADHO Cc1ccc(NC(=O)C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCCC2)cc1C ZINC000246242238 1092942694 /nfs/dbraw/zinc/94/26/94/1092942694.db2.gz GICPCLIEOXADKA-CTNGQTDRSA-N 1 3 369.553 4.019 20 0 FIADHO Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)sc1C ZINC000512666368 1093105943 /nfs/dbraw/zinc/10/59/43/1093105943.db2.gz KFBQXQHTJHVQMR-NJDAHSKKSA-N 1 3 369.578 4.193 20 0 FIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CO)CC(c3ccccc3)C2)CC1 ZINC000433076216 1093203541 /nfs/dbraw/zinc/20/35/41/1093203541.db2.gz MVDTYVBIZJTCCR-VCERZCPPSA-N 1 3 370.581 4.175 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C[C@H](C)N1Cc1ccccc1 ZINC001168020322 1093204974 /nfs/dbraw/zinc/20/49/74/1093204974.db2.gz LZCCJLLJARFPMN-PMTGJVGFSA-N 1 3 350.506 4.411 20 0 FIADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Oc1cccc(Br)c1 ZINC000512969908 1093606791 /nfs/dbraw/zinc/60/67/91/1093606791.db2.gz LPQBSCORZOIWOS-AWEZNQCLSA-N 1 3 369.347 4.069 20 0 FIADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000513019861 1093665402 /nfs/dbraw/zinc/66/54/02/1093665402.db2.gz INYIQCBNHFAVCB-GQCSXXPBSA-N 1 3 350.934 4.222 20 0 FIADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433405914 1093672490 /nfs/dbraw/zinc/67/24/90/1093672490.db2.gz JZLNWXLYXWBGJH-FUHWJXTLSA-N 1 3 366.521 4.012 20 0 FIADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC001648951034 1093932377 /nfs/dbraw/zinc/93/23/77/1093932377.db2.gz MBBZOESGYCPJSP-UHFFFAOYSA-N 1 3 358.526 4.080 20 0 FIADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccc2c(c1)OCO2 ZINC001648951034 1093932378 /nfs/dbraw/zinc/93/23/78/1093932378.db2.gz MBBZOESGYCPJSP-UHFFFAOYSA-N 1 3 358.526 4.080 20 0 FIADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1OC ZINC000474607386 1094410522 /nfs/dbraw/zinc/41/05/22/1094410522.db2.gz YDZGHTWFPBOVDX-ZWKOTPCHSA-N 1 3 374.569 4.440 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000501006103 1094416821 /nfs/dbraw/zinc/41/68/21/1094416821.db2.gz FNSRVNHXVHHVRK-QHCPKHFHSA-N 1 3 357.586 4.314 20 0 FIADHO CN(Cc1nc2ccccc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047520 1094454482 /nfs/dbraw/zinc/45/44/82/1094454482.db2.gz DWKAGCYRCNWTOH-UHFFFAOYSA-N 1 3 352.507 4.040 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501089618 1094489344 /nfs/dbraw/zinc/48/93/44/1094489344.db2.gz OFJNEXUOTJWANN-QGZVFWFLSA-N 1 3 371.491 4.114 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501089618 1094489350 /nfs/dbraw/zinc/48/93/50/1094489350.db2.gz OFJNEXUOTJWANN-QGZVFWFLSA-N 1 3 371.491 4.114 20 0 FIADHO CC(C)N1CCN(CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000501081203 1094497600 /nfs/dbraw/zinc/49/76/00/1094497600.db2.gz VTDIFXOOZQGTTE-UHFFFAOYSA-N 1 3 365.565 4.105 20 0 FIADHO CC(C)Sc1cccc(Cl)c1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000474730287 1094546197 /nfs/dbraw/zinc/54/61/97/1094546197.db2.gz PAKGNJLDCGQJJP-INIZCTEOSA-N 1 3 370.990 4.167 20 0 FIADHO CC(C)Sc1cccc(Cl)c1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000474730287 1094546205 /nfs/dbraw/zinc/54/62/05/1094546205.db2.gz PAKGNJLDCGQJJP-INIZCTEOSA-N 1 3 370.990 4.167 20 0 FIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000474735203 1094548418 /nfs/dbraw/zinc/54/84/18/1094548418.db2.gz WTYKWXZPCSVLAR-KCZVDYSFSA-N 1 3 366.549 4.341 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000501390338 1094675873 /nfs/dbraw/zinc/67/58/73/1094675873.db2.gz VRJYTFNWOFCKMZ-GPXNEJASSA-N 1 3 363.549 4.262 20 0 FIADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000420398937 1094912728 /nfs/dbraw/zinc/91/27/28/1094912728.db2.gz ZMAFOMFOVCKPLC-HOCLYGCPSA-N 1 3 364.942 4.273 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458550 1095487018 /nfs/dbraw/zinc/48/70/18/1095487018.db2.gz CXQQBSQIXWNWTF-QUCCMNQESA-N 1 3 352.526 4.171 20 0 FIADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000502720316 1095743316 /nfs/dbraw/zinc/74/33/16/1095743316.db2.gz ATCGIPRWRFFNMM-RXVVDRJESA-N 1 3 364.961 4.347 20 0 FIADHO CCCCCN1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051345 1095807158 /nfs/dbraw/zinc/80/71/58/1095807158.db2.gz HPKXTKQDVCQABF-IUTQVRIDSA-N 1 3 357.586 4.236 20 0 FIADHO CCCCCN1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168051345 1095807179 /nfs/dbraw/zinc/80/71/79/1095807179.db2.gz HPKXTKQDVCQABF-IUTQVRIDSA-N 1 3 357.586 4.236 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421822765 1095935596 /nfs/dbraw/zinc/93/55/96/1095935596.db2.gz BHZVHKIHPZNHDT-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H](NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1Cl ZINC000421822765 1095935599 /nfs/dbraw/zinc/93/55/99/1095935599.db2.gz BHZVHKIHPZNHDT-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000422730676 1096464489 /nfs/dbraw/zinc/46/44/89/1096464489.db2.gz FDXQWCQFSBSEOQ-HOTGVXAUSA-N 1 3 355.526 4.264 20 0 FIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(-c2ccncc2)cc1 ZINC000422754790 1096483669 /nfs/dbraw/zinc/48/36/69/1096483669.db2.gz ATTZZNFQFNTTNW-LADGPHEKSA-N 1 3 371.484 4.094 20 0 FIADHO CCCOc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422785839 1096490204 /nfs/dbraw/zinc/49/02/04/1096490204.db2.gz RUWHERPACBBDEO-HYVJGQCMSA-N 1 3 366.505 4.382 20 0 FIADHO COc1cccc([C@@H](N[C@H](C)CCCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422824995 1096500659 /nfs/dbraw/zinc/50/06/59/1096500659.db2.gz OVODNMHTDWURLX-QVKFZJNVSA-N 1 3 360.473 4.039 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422843263 1096509020 /nfs/dbraw/zinc/50/90/20/1096509020.db2.gz HOSWHBFIUWPOJE-CQSZACIVSA-N 1 3 359.464 4.290 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000422891341 1096515303 /nfs/dbraw/zinc/51/53/03/1096515303.db2.gz KGZFOHFNBYHEMK-QGZVFWFLSA-N 1 3 361.489 4.279 20 0 FIADHO COc1cccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCCC2)c1 ZINC000422889962 1096515540 /nfs/dbraw/zinc/51/55/40/1096515540.db2.gz RARXMSIQRMRTFM-MRXNPFEDSA-N 1 3 353.510 4.020 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422927344 1096527380 /nfs/dbraw/zinc/52/73/80/1096527380.db2.gz GFWUUDSXZLFIMN-NEPJUHHUSA-N 1 3 353.388 4.159 20 0 FIADHO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422993769 1096542344 /nfs/dbraw/zinc/54/23/44/1096542344.db2.gz GDYXQTIXXUMNKC-ZPMCFJSWSA-N 1 3 353.510 4.198 20 0 FIADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@H](N)c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023099 1096548068 /nfs/dbraw/zinc/54/80/68/1096548068.db2.gz IXTGCFWORMLNGO-RZTDZLQYSA-N 1 3 373.903 4.206 20 0 FIADHO CN1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023099 1096548077 /nfs/dbraw/zinc/54/80/77/1096548077.db2.gz IXTGCFWORMLNGO-RZTDZLQYSA-N 1 3 373.903 4.206 20 0 FIADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422996187 1096552588 /nfs/dbraw/zinc/55/25/88/1096552588.db2.gz LFCSECNWNIJUSM-UCNVEGJOSA-N 1 3 353.510 4.198 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423040783 1096557230 /nfs/dbraw/zinc/55/72/30/1096557230.db2.gz HXTLVNRMPHKMRG-STQMWFEESA-N 1 3 351.416 4.149 20 0 FIADHO Fc1ccc2c(c1)[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089877 1096570908 /nfs/dbraw/zinc/57/09/08/1096570908.db2.gz WETDCLKTZGYCIL-RZUBCFFCSA-N 1 3 352.453 4.049 20 0 FIADHO Fc1cccc(Cl)c1[C@@H]1C[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423172907 1096603280 /nfs/dbraw/zinc/60/32/80/1096603280.db2.gz VXVHZQRNSJKUDA-HAXDFEGKSA-N 1 3 372.871 4.181 20 0 FIADHO COc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1OC ZINC000423239570 1096618375 /nfs/dbraw/zinc/61/83/75/1096618375.db2.gz BJKVOEUTDVMGFE-BTYIYWSLSA-N 1 3 374.912 4.036 20 0 FIADHO CSc1cccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2cc(F)ccc2F)c1 ZINC000423247064 1096628854 /nfs/dbraw/zinc/62/88/54/1096628854.db2.gz KQMDBYUYLMXUKO-JLTOFOAXSA-N 1 3 362.489 4.365 20 0 FIADHO Brc1ccccc1[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423254519 1096631751 /nfs/dbraw/zinc/63/17/51/1096631751.db2.gz YHQICKSSCPSHFQ-BEFAXECRSA-N 1 3 359.311 4.128 20 0 FIADHO Brc1ccc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000423260761 1096633578 /nfs/dbraw/zinc/63/35/78/1096633578.db2.gz QPZVIRXYYNAYHD-KBXCAEBGSA-N 1 3 363.299 4.111 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000423290425 1096636284 /nfs/dbraw/zinc/63/62/84/1096636284.db2.gz CXGJZLNMUPOLDH-ADLMAVQZSA-N 1 3 363.274 4.385 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000423294529 1096643674 /nfs/dbraw/zinc/64/36/74/1096643674.db2.gz UQMHCAGTXVKGDF-KGLIPLIRSA-N 1 3 352.400 4.498 20 0 FIADHO Cc1n[nH]cc1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000664347161 1096655848 /nfs/dbraw/zinc/65/58/48/1096655848.db2.gz FMCVBLINECBTSD-UHFFFAOYSA-N 1 3 352.526 4.084 20 0 FIADHO C[C@H](CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423360029 1096657335 /nfs/dbraw/zinc/65/73/35/1096657335.db2.gz FEUVFVWVWFHAKY-PVXIVEMSSA-N 1 3 350.375 4.121 20 0 FIADHO CCCCOc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423393627 1096664001 /nfs/dbraw/zinc/66/40/01/1096664001.db2.gz QSWMRBVIYWPSAB-MRXNPFEDSA-N 1 3 354.494 4.328 20 0 FIADHO C[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423454002 1096699761 /nfs/dbraw/zinc/69/97/61/1096699761.db2.gz LFYSXRFTMWYMBA-FZKQIMNGSA-N 1 3 365.290 4.395 20 0 FIADHO COC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423518082 1096712041 /nfs/dbraw/zinc/71/20/41/1096712041.db2.gz ZFXKQCBTQSGIQX-OALUTQOASA-N 1 3 366.427 4.463 20 0 FIADHO Fc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1-c1cccs1 ZINC000414878429 1098739182 /nfs/dbraw/zinc/73/91/82/1098739182.db2.gz NLKNEOZDPVOJLJ-UHFFFAOYSA-N 1 3 355.482 4.219 20 0 FIADHO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000437083788 1099588801 /nfs/dbraw/zinc/58/88/01/1099588801.db2.gz JDDREDCXJUCMKR-HCXYKTFWSA-N 1 3 354.460 4.464 20 0 FIADHO COc1ccccc1/C=C\C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673997 1100161655 /nfs/dbraw/zinc/16/16/55/1100161655.db2.gz IZXRIRAWACNKRJ-UOMAQRANSA-N 1 3 350.506 4.162 20 0 FIADHO COc1ccccc1/C=C\C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673997 1100161660 /nfs/dbraw/zinc/16/16/60/1100161660.db2.gz IZXRIRAWACNKRJ-UOMAQRANSA-N 1 3 350.506 4.162 20 0 FIADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000536844245 1100356559 /nfs/dbraw/zinc/35/65/59/1100356559.db2.gz HWSNDMDHWMMEEG-NJDAHSKKSA-N 1 3 362.945 4.075 20 0 FIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C4CCC4)c3)CC2)CC1 ZINC000517756757 1100643352 /nfs/dbraw/zinc/64/33/52/1100643352.db2.gz MOLMECHTWYMCEE-UHFFFAOYSA-N 1 3 369.553 4.089 20 0 FIADHO Cc1ccc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)oc2c1 ZINC000426044810 1100721254 /nfs/dbraw/zinc/72/12/54/1100721254.db2.gz ANCPXUSLGJPDPL-VDGAXYAQSA-N 1 3 356.510 4.160 20 0 FIADHO Cc1ccc2cc([C@H](C)[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)oc2c1 ZINC000426044807 1100721396 /nfs/dbraw/zinc/72/13/96/1100721396.db2.gz ANCPXUSLGJPDPL-DBVUQKKJSA-N 1 3 356.510 4.160 20 0 FIADHO FC(F)(F)c1ccc(-c2nc(CNCCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414975004 1101072822 /nfs/dbraw/zinc/07/28/22/1101072822.db2.gz OCBUUVCVIHTLJN-HNNXBMFYSA-N 1 3 369.456 4.451 20 0 FIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000439143898 1101198782 /nfs/dbraw/zinc/19/87/82/1101198782.db2.gz TUZHBTKWYDFZNP-WOSRLPQWSA-N 1 3 357.361 4.424 20 0 FIADHO Brc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000426325186 1101259240 /nfs/dbraw/zinc/25/92/40/1101259240.db2.gz UMODVYFKWBLHCM-HZPDHXFCSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000426325186 1101259246 /nfs/dbraw/zinc/25/92/46/1101259246.db2.gz UMODVYFKWBLHCM-HZPDHXFCSA-N 1 3 363.343 4.087 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2c3cccc(Br)c3CC2(C)C)CC[N@@H+]1C ZINC000426322394 1101266689 /nfs/dbraw/zinc/26/66/89/1101266689.db2.gz IQWAKACILAODOG-IGCXYCKISA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2c3cccc(Br)c3CC2(C)C)CC[N@H+]1C ZINC000426322394 1101266696 /nfs/dbraw/zinc/26/66/96/1101266696.db2.gz IQWAKACILAODOG-IGCXYCKISA-N 1 3 351.332 4.145 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000537012762 1101394380 /nfs/dbraw/zinc/39/43/80/1101394380.db2.gz GFQJJGAWMNTMGF-FQEVSTJZSA-N 1 3 357.498 4.227 20 0 FIADHO CCOc1cccc2cc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)oc21 ZINC000537303646 1101627821 /nfs/dbraw/zinc/62/78/21/1101627821.db2.gz HEBAGZGGBGXKII-KURKYZTESA-N 1 3 374.525 4.372 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000122293598 1102547143 /nfs/dbraw/zinc/54/71/43/1102547143.db2.gz DGZZGWVGZKJYJG-YSSFQJQWSA-N 1 3 354.485 4.143 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000550886167 1102658080 /nfs/dbraw/zinc/65/80/80/1102658080.db2.gz DULXXGIHWOIAPA-HSZRJFAPSA-N 1 3 368.521 4.280 20 0 FIADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263043 1102882126 /nfs/dbraw/zinc/88/21/26/1102882126.db2.gz TXJDBJUKPQNNND-HJNYFJLDSA-N 1 3 356.554 4.084 20 0 FIADHO C[NH+](C)CC1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000506875943 1102936450 /nfs/dbraw/zinc/93/64/50/1102936450.db2.gz PHMGQTUTSNYGAV-UHFFFAOYSA-N 1 3 355.309 4.043 20 0 FIADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OCc1ccccc1 ZINC000506942951 1102963703 /nfs/dbraw/zinc/96/37/03/1102963703.db2.gz DQVNJQMVJHRCNP-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO c1ccc(COCc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000459373970 1103004551 /nfs/dbraw/zinc/00/45/51/1103004551.db2.gz LFCRAHMXMLISAA-UHFFFAOYSA-N 1 3 350.506 4.120 20 0 FIADHO Fc1ccc(C(C[NH2+][C@H]2CCNC3(CCC3)C2)c2ccc(F)cc2)cc1 ZINC000666993678 1103306235 /nfs/dbraw/zinc/30/62/35/1103306235.db2.gz BBNQCAPWOQSOKG-FQEVSTJZSA-N 1 3 356.460 4.361 20 0 FIADHO Cc1nccnc1[C@H](C)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000187991426 1103731710 /nfs/dbraw/zinc/73/17/10/1103731710.db2.gz OUQXDMADUJMCME-IBGZPJMESA-N 1 3 366.553 4.171 20 0 FIADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538295260 1104113733 /nfs/dbraw/zinc/11/37/33/1104113733.db2.gz BILCWCWOROWOPR-APWZRJJASA-N 1 3 356.535 4.257 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404538 1104344385 /nfs/dbraw/zinc/34/43/85/1104344385.db2.gz SWRMFXUHNWBXTA-VQIMIIECSA-N 1 3 368.443 4.076 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404538 1104344396 /nfs/dbraw/zinc/34/43/96/1104344396.db2.gz SWRMFXUHNWBXTA-VQIMIIECSA-N 1 3 368.443 4.076 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(CO)c1 ZINC000536308614 1104660501 /nfs/dbraw/zinc/66/05/01/1104660501.db2.gz OGMAVMJMVSIKEC-RTBURBONSA-N 1 3 352.522 4.404 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(CO)c1 ZINC000536308614 1104660504 /nfs/dbraw/zinc/66/05/04/1104660504.db2.gz OGMAVMJMVSIKEC-RTBURBONSA-N 1 3 352.522 4.404 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)oc3ccccc32)C[C@@H](C)O1 ZINC000536413737 1104916467 /nfs/dbraw/zinc/91/64/67/1104916467.db2.gz DJXIPGRQWQXMMC-HUUCEWRRSA-N 1 3 350.890 4.065 20 0 FIADHO Brc1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)s1 ZINC000190582852 1104933918 /nfs/dbraw/zinc/93/39/18/1104933918.db2.gz XLJZIAMMGFUNAK-BDJLRTHQSA-N 1 3 355.345 4.036 20 0 FIADHO Brc1ccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582852 1104933922 /nfs/dbraw/zinc/93/39/22/1104933922.db2.gz XLJZIAMMGFUNAK-BDJLRTHQSA-N 1 3 355.345 4.036 20 0 FIADHO Brc1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)s1 ZINC000190582813 1104934074 /nfs/dbraw/zinc/93/40/74/1104934074.db2.gz XLJZIAMMGFUNAK-MEDUHNTESA-N 1 3 355.345 4.036 20 0 FIADHO Brc1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582813 1104934080 /nfs/dbraw/zinc/93/40/80/1104934080.db2.gz XLJZIAMMGFUNAK-MEDUHNTESA-N 1 3 355.345 4.036 20 0 FIADHO CCCN1CC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190591937 1104944286 /nfs/dbraw/zinc/94/42/86/1104944286.db2.gz COAPLIBVVAIELN-MLGOLLRUSA-N 1 3 357.361 4.283 20 0 FIADHO OCCCCCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002769 1104990561 /nfs/dbraw/zinc/99/05/61/1104990561.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 1 3 370.581 4.447 20 0 FIADHO OCCCCCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002769 1104990565 /nfs/dbraw/zinc/99/05/65/1104990565.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 1 3 370.581 4.447 20 0 FIADHO OCCCCCC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168002769 1104990568 /nfs/dbraw/zinc/99/05/68/1104990568.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 1 3 370.581 4.447 20 0 FIADHO OCCCCCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168002769 1104990573 /nfs/dbraw/zinc/99/05/73/1104990573.db2.gz XODGRPXYWGMPHX-VSGJHWFKSA-N 1 3 370.581 4.447 20 0 FIADHO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152415682 1105105049 /nfs/dbraw/zinc/10/50/49/1105105049.db2.gz UUNSJICMJIERPT-WBMJQRKESA-N 1 3 355.309 4.281 20 0 FIADHO CC(C)Cc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530210045 1106913302 /nfs/dbraw/zinc/91/33/02/1106913302.db2.gz KSNFGINOIGCUNC-GMAHTHKFSA-N 1 3 350.506 4.231 20 0 FIADHO CC(C)Cc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530210046 1106913453 /nfs/dbraw/zinc/91/34/53/1106913453.db2.gz KSNFGINOIGCUNC-JTHBVZDNSA-N 1 3 350.506 4.231 20 0 FIADHO N[C@H]1C[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c2ccccc21 ZINC000530209551 1106913461 /nfs/dbraw/zinc/91/34/61/1106913461.db2.gz IQJYJOGXNSFYNN-PMACEKPBSA-N 1 3 366.509 4.127 20 0 FIADHO OC1(C[NH2+]C2CCN(C3CCCC3)CC2)CCC(c2ccccc2)CC1 ZINC000530232502 1106919829 /nfs/dbraw/zinc/91/98/29/1106919829.db2.gz QKNVXZJFULSHFF-UHFFFAOYSA-N 1 3 356.554 4.072 20 0 FIADHO Cc1ccc2nccc(NCc3ccccc3C[NH+]3CCC(O)CC3)c2c1 ZINC000302137815 1107313790 /nfs/dbraw/zinc/31/37/90/1107313790.db2.gz CBIOQRJHBJCEPC-UHFFFAOYSA-N 1 3 361.489 4.112 20 0 FIADHO FC(F)(F)C[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689651 1108091958 /nfs/dbraw/zinc/09/19/58/1108091958.db2.gz GPEXYPOOJRBXIA-FAVCQXFFSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689651 1108091973 /nfs/dbraw/zinc/09/19/73/1108091973.db2.gz GPEXYPOOJRBXIA-FAVCQXFFSA-N 1 3 358.370 4.091 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCCC[NH+]2CCCCC2)cc1OC ZINC000531717590 1108110269 /nfs/dbraw/zinc/11/02/69/1108110269.db2.gz IJXQVEXVGKAOPC-MRXNPFEDSA-N 1 3 352.494 4.150 20 0 FIADHO COc1ccc(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000531789460 1108182361 /nfs/dbraw/zinc/18/23/61/1108182361.db2.gz IVPBDNRPJBSSFS-FRIKZZABSA-N 1 3 350.506 4.467 20 0 FIADHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453127595 1108205948 /nfs/dbraw/zinc/20/59/48/1108205948.db2.gz PPGBOQLOEPGLFB-YTFSRNRJSA-N 1 3 366.553 4.005 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218065 1108289316 /nfs/dbraw/zinc/28/93/16/1108289316.db2.gz GGPWCKDXEUDOFC-DHIUTWEWSA-N 1 3 368.565 4.084 20 0 FIADHO CSC1(CN[C@H](C)c2ccc(Oc3ccccc3)cn2)CC[NH+](C)CC1 ZINC000453256147 1108329809 /nfs/dbraw/zinc/32/98/09/1108329809.db2.gz QSBXVXVJBDADRN-QGZVFWFLSA-N 1 3 371.550 4.352 20 0 FIADHO C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000453270580 1108344508 /nfs/dbraw/zinc/34/45/08/1108344508.db2.gz OKCRATLMOPVHSR-CBGDNZLLSA-N 1 3 354.494 4.190 20 0 FIADHO CO[C@](C)(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319415 1108407652 /nfs/dbraw/zinc/40/76/52/1108407652.db2.gz KUDADVQDLHAFNJ-JLLPCOHGSA-N 1 3 364.533 4.333 20 0 FIADHO CO[C@](C)(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000453319415 1108407657 /nfs/dbraw/zinc/40/76/57/1108407657.db2.gz KUDADVQDLHAFNJ-JLLPCOHGSA-N 1 3 364.533 4.333 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000532200995 1108706954 /nfs/dbraw/zinc/70/69/54/1108706954.db2.gz UILQUCKBGNOSRF-KRWDZBQOSA-N 1 3 365.521 4.264 20 0 FIADHO C[N@H+]1CC=C(CN[C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446938448 1109395608 /nfs/dbraw/zinc/39/56/08/1109395608.db2.gz ISHVNTZDOPYZPA-QGZVFWFLSA-N 1 3 369.734 4.405 20 0 FIADHO C[N@@H+]1CC=C(CN[C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446938448 1109395612 /nfs/dbraw/zinc/39/56/12/1109395612.db2.gz ISHVNTZDOPYZPA-QGZVFWFLSA-N 1 3 369.734 4.405 20 0 FIADHO CSc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000447587745 1109587687 /nfs/dbraw/zinc/58/76/87/1109587687.db2.gz SBILUAMWVSMREC-ACDBMABISA-N 1 3 353.535 4.089 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000447577578 1109593408 /nfs/dbraw/zinc/59/34/08/1109593408.db2.gz IIYLVXGPLIGTLE-UEVCKROQSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000447577578 1109593413 /nfs/dbraw/zinc/59/34/13/1109593413.db2.gz IIYLVXGPLIGTLE-UEVCKROQSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000447577579 1109593691 /nfs/dbraw/zinc/59/36/91/1109593691.db2.gz IIYLVXGPLIGTLE-WTIAFYNJSA-N 1 3 352.522 4.264 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000447577579 1109593694 /nfs/dbraw/zinc/59/36/94/1109593694.db2.gz IIYLVXGPLIGTLE-WTIAFYNJSA-N 1 3 352.522 4.264 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000527298597 1109735269 /nfs/dbraw/zinc/73/52/69/1109735269.db2.gz PIMPSLYCXXGGES-PZJWPPBQSA-N 1 3 364.599 4.122 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000527298597 1109735272 /nfs/dbraw/zinc/73/52/72/1109735272.db2.gz PIMPSLYCXXGGES-PZJWPPBQSA-N 1 3 364.599 4.122 20 0 FIADHO C[C@H]([NH2+]CCCOc1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000544422444 1109792273 /nfs/dbraw/zinc/79/22/73/1109792273.db2.gz XXIIEMIBPMVVNK-IRXDYDNUSA-N 1 3 350.934 4.352 20 0 FIADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](c2ccsc2)N(C)C)CC1 ZINC000449070797 1109972269 /nfs/dbraw/zinc/97/22/69/1109972269.db2.gz LKRNDJRGAHGQOB-GCJKJVERSA-N 1 3 371.594 4.036 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccc3ccccc3n2)CC1 ZINC000449108494 1109977283 /nfs/dbraw/zinc/97/72/83/1109977283.db2.gz RFCPHMKEAURNSN-HXUWFJFHSA-N 1 3 373.544 4.463 20 0 FIADHO COc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc2ccccc21 ZINC000449087673 1109978037 /nfs/dbraw/zinc/97/80/37/1109978037.db2.gz GEZUNEWFCQIWTE-UHFFFAOYSA-N 1 3 364.489 4.079 20 0 FIADHO CC(C)c1nc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cs1 ZINC000449113624 1109983890 /nfs/dbraw/zinc/98/38/90/1109983890.db2.gz WPPKUTSKYIXURQ-SFHVURJKSA-N 1 3 371.594 4.494 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180886 1109993402 /nfs/dbraw/zinc/99/34/02/1109993402.db2.gz CUBKMISBFRGAPL-RTBURBONSA-N 1 3 366.553 4.244 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343626 1110034501 /nfs/dbraw/zinc/03/45/01/1110034501.db2.gz LXEBUXIIVXIMIV-VXKWHMMOSA-N 1 3 368.565 4.228 20 0 FIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000538409327 1111128899 /nfs/dbraw/zinc/12/88/99/1111128899.db2.gz MDZCAVYPKGUXFS-ACRUOGEOSA-N 1 3 362.533 4.270 20 0 FIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1 ZINC000538409332 1111129153 /nfs/dbraw/zinc/12/91/53/1111129153.db2.gz MDZCAVYPKGUXFS-PWRODBHTSA-N 1 3 362.533 4.270 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000539072429 1111419494 /nfs/dbraw/zinc/41/94/94/1111419494.db2.gz RMCHPOUSTDYFHY-CEXWTWQISA-N 1 3 370.537 4.388 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000539073710 1111419924 /nfs/dbraw/zinc/41/99/24/1111419924.db2.gz XISVMAAZUJIQSI-QGZVFWFLSA-N 1 3 365.521 4.262 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000539073710 1111419925 /nfs/dbraw/zinc/41/99/25/1111419925.db2.gz XISVMAAZUJIQSI-QGZVFWFLSA-N 1 3 365.521 4.262 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000539260749 1111497885 /nfs/dbraw/zinc/49/78/85/1111497885.db2.gz HGIFUDCIVZITRY-JTDSTZFVSA-N 1 3 366.933 4.033 20 0 FIADHO FC(F)(F)Oc1cccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000552224316 1111624164 /nfs/dbraw/zinc/62/41/64/1111624164.db2.gz SPQWFENRFPKGPB-SCLBCKFNSA-N 1 3 354.416 4.110 20 0 FIADHO FC(F)(F)Oc1cccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224316 1111624165 /nfs/dbraw/zinc/62/41/65/1111624165.db2.gz SPQWFENRFPKGPB-SCLBCKFNSA-N 1 3 354.416 4.110 20 0 FIADHO Cc1cccn2c(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cnc12 ZINC000552272905 1111654238 /nfs/dbraw/zinc/65/42/38/1111654238.db2.gz HOKIAPLMYLWGIA-UHFFFAOYSA-N 1 3 374.532 4.131 20 0 FIADHO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000552277186 1111656194 /nfs/dbraw/zinc/65/61/94/1111656194.db2.gz QPUTULRWORPCRM-DXBBTUNJSA-N 1 3 356.554 4.224 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+]CCC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000552362757 1111685788 /nfs/dbraw/zinc/68/57/88/1111685788.db2.gz LHKSELIFWAIATE-QHCPKHFHSA-N 1 3 370.581 4.475 20 0 FIADHO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000479460996 1112032158 /nfs/dbraw/zinc/03/21/58/1112032158.db2.gz AGNNTGHITLJLQP-NQIIRXRSSA-N 1 3 354.469 4.151 20 0 FIADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000480610229 1112500331 /nfs/dbraw/zinc/50/03/31/1112500331.db2.gz NBFNZZLQBIIIBR-KBXCAEBGSA-N 1 3 358.357 4.060 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000480604883 1112504875 /nfs/dbraw/zinc/50/48/75/1112504875.db2.gz GCOFDOOYFDFTKW-JKSUJKDBSA-N 1 3 352.494 4.148 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000480604883 1112504877 /nfs/dbraw/zinc/50/48/77/1112504877.db2.gz GCOFDOOYFDFTKW-JKSUJKDBSA-N 1 3 352.494 4.148 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCc3ccc(OC)cc32)cc1 ZINC000480731765 1112575434 /nfs/dbraw/zinc/57/54/34/1112575434.db2.gz XWCVAOBTNAPMQW-HSZRJFAPSA-N 1 3 368.521 4.193 20 0 FIADHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000480769572 1112587778 /nfs/dbraw/zinc/58/77/78/1112587778.db2.gz IGVVZVBCDDFZOC-IBGZPJMESA-N 1 3 372.384 4.452 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000480832542 1112631873 /nfs/dbraw/zinc/63/18/73/1112631873.db2.gz KDTYQFKZPXUHBQ-PWHSHALESA-N 1 3 370.512 4.394 20 0 FIADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000480914690 1112668380 /nfs/dbraw/zinc/66/83/80/1112668380.db2.gz VFOMUZMYYHTFRX-CYFREDJKSA-N 1 3 363.549 4.162 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000481304499 1112877177 /nfs/dbraw/zinc/87/71/77/1112877177.db2.gz HRCVNHQQYIHBDA-SFHVURJKSA-N 1 3 350.506 4.340 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000555536834 1112913446 /nfs/dbraw/zinc/91/34/46/1112913446.db2.gz ABJGDEPZEZCZIM-DOTOQJQBSA-N 1 3 365.359 4.016 20 0 FIADHO CN(c1ccccc1CNCc1coc2ccccc12)C1CC[NH+](C)CC1 ZINC000555591223 1112934209 /nfs/dbraw/zinc/93/42/09/1112934209.db2.gz SPUWTVBJZDDVPJ-UHFFFAOYSA-N 1 3 363.505 4.253 20 0 FIADHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000162911528 1113225345 /nfs/dbraw/zinc/22/53/45/1113225345.db2.gz CYUKORWOOPFWJS-OAQYLSRUSA-N 1 3 366.505 4.295 20 0 FIADHO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441436 1113257355 /nfs/dbraw/zinc/25/73/55/1113257355.db2.gz VBGJVNANOBGTBG-RBBKRZOGSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441436 1113257356 /nfs/dbraw/zinc/25/73/56/1113257356.db2.gz VBGJVNANOBGTBG-RBBKRZOGSA-N 1 3 374.532 4.088 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000482441436 1113257361 /nfs/dbraw/zinc/25/73/61/1113257361.db2.gz VBGJVNANOBGTBG-RBBKRZOGSA-N 1 3 374.532 4.088 20 0 FIADHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1OC ZINC000482647783 1113319385 /nfs/dbraw/zinc/31/93/85/1113319385.db2.gz CCFJZHCPTDDYRX-QGZVFWFLSA-N 1 3 360.542 4.022 20 0 FIADHO COc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000486522133 1113587887 /nfs/dbraw/zinc/58/78/87/1113587887.db2.gz YCJRZYCGTHPXMR-ICSRJNTNSA-N 1 3 368.521 4.012 20 0 FIADHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000486521728 1113590343 /nfs/dbraw/zinc/59/03/43/1113590343.db2.gz XAIMUVYCQQSQBA-YLJYHZDGSA-N 1 3 370.562 4.417 20 0 FIADHO CCOc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000486925136 1113677412 /nfs/dbraw/zinc/67/74/12/1113677412.db2.gz LBCWONLLSVMSGY-QGZVFWFLSA-N 1 3 362.514 4.288 20 0 FIADHO CCOc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000486925136 1113677415 /nfs/dbraw/zinc/67/74/15/1113677415.db2.gz LBCWONLLSVMSGY-QGZVFWFLSA-N 1 3 362.514 4.288 20 0 FIADHO Cc1ccc(CCC[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000668713685 1113681530 /nfs/dbraw/zinc/68/15/30/1113681530.db2.gz XXAVZDQBDQEDGB-QHCPKHFHSA-N 1 3 363.549 4.215 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000488051319 1113846781 /nfs/dbraw/zinc/84/67/81/1113846781.db2.gz UDEROGPBDBPLCQ-HMXCVIKNSA-N 1 3 374.956 4.099 20 0 FIADHO C[C@H](c1cccc(Cl)c1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710619 1114602065 /nfs/dbraw/zinc/60/20/65/1114602065.db2.gz KFYJXOZIPMGACW-IXDOHACOSA-N 1 3 350.934 4.222 20 0 FIADHO C[C@H](c1cccc(Cl)c1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710619 1114602067 /nfs/dbraw/zinc/60/20/67/1114602067.db2.gz KFYJXOZIPMGACW-IXDOHACOSA-N 1 3 350.934 4.222 20 0 FIADHO CSc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000572895397 1114805196 /nfs/dbraw/zinc/80/51/96/1114805196.db2.gz WLOITPPZQXYGJA-IYBDPMFKSA-N 1 3 368.612 4.181 20 0 FIADHO CSc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000572895397 1114805202 /nfs/dbraw/zinc/80/52/02/1114805202.db2.gz WLOITPPZQXYGJA-IYBDPMFKSA-N 1 3 368.612 4.181 20 0 FIADHO COc1ccc(-c2ccccc2C)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000573120079 1115046268 /nfs/dbraw/zinc/04/62/68/1115046268.db2.gz DFDSCVUVRPSVSP-UHFFFAOYSA-N 1 3 368.521 4.000 20 0 FIADHO c1cn(-c2cccc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)cn1 ZINC000574633466 1115430678 /nfs/dbraw/zinc/43/06/78/1115430678.db2.gz UJYRLWGBMOBXHY-VILGAWFOSA-N 1 3 372.516 4.158 20 0 FIADHO c1cn(-c2cccc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)cn1 ZINC000574633466 1115430681 /nfs/dbraw/zinc/43/06/81/1115430681.db2.gz UJYRLWGBMOBXHY-VILGAWFOSA-N 1 3 372.516 4.158 20 0 FIADHO COc1cccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1F ZINC000669683861 1115782496 /nfs/dbraw/zinc/78/24/96/1115782496.db2.gz YTDFSULSLHMRBH-HKUYNNGSSA-N 1 3 356.485 4.225 20 0 FIADHO COc1cccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1F ZINC000669683861 1115782500 /nfs/dbraw/zinc/78/25/00/1115782500.db2.gz YTDFSULSLHMRBH-HKUYNNGSSA-N 1 3 356.485 4.225 20 0 FIADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000462747961 1117750607 /nfs/dbraw/zinc/75/06/07/1117750607.db2.gz YTABBXQJDNXHSN-FQEVSTJZSA-N 1 3 357.586 4.141 20 0 FIADHO Fc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1Br ZINC000540143869 1117895028 /nfs/dbraw/zinc/89/50/28/1117895028.db2.gz DUQPUGOVGZKKGV-UHFFFAOYSA-N 1 3 369.322 4.127 20 0 FIADHO Fc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000540143869 1117895037 /nfs/dbraw/zinc/89/50/37/1117895037.db2.gz DUQPUGOVGZKKGV-UHFFFAOYSA-N 1 3 369.322 4.127 20 0 FIADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)CCN1Cc1ccccc1 ZINC000540145514 1117896918 /nfs/dbraw/zinc/89/69/18/1117896918.db2.gz SGGHMVQSKHDHFR-AZUAARDMSA-N 1 3 367.537 4.402 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000540189328 1117921609 /nfs/dbraw/zinc/92/16/09/1117921609.db2.gz AUNCOPTVAXCOBO-KRWDZBQOSA-N 1 3 356.432 4.425 20 0 FIADHO COc1cccc([C@@H](C)NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463070594 1117956569 /nfs/dbraw/zinc/95/65/69/1117956569.db2.gz FXQPJRZOIMWBLK-QGZVFWFLSA-N 1 3 356.485 4.192 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000540262421 1117963113 /nfs/dbraw/zinc/96/31/13/1117963113.db2.gz IHNTUPOZUGSQCH-IBGZPJMESA-N 1 3 372.384 4.308 20 0 FIADHO C[C@H]1C[C@H]([NH2+]CCCN(C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000463130735 1117978477 /nfs/dbraw/zinc/97/84/77/1117978477.db2.gz IHTPYYSHVZIRBT-XUZZJYLKSA-N 1 3 365.565 4.151 20 0 FIADHO C[C@H](c1ccc(Cl)cc1Cl)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000540335744 1117990020 /nfs/dbraw/zinc/99/00/20/1117990020.db2.gz DSCFCYIDDQVTDD-CQSZACIVSA-N 1 3 358.357 4.012 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188879 1118007066 /nfs/dbraw/zinc/00/70/66/1118007066.db2.gz FKRDNPSABDVSFQ-NFBKMPQASA-N 1 3 374.532 4.323 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000463188879 1118007071 /nfs/dbraw/zinc/00/70/71/1118007071.db2.gz FKRDNPSABDVSFQ-NFBKMPQASA-N 1 3 374.532 4.323 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251294 1118060903 /nfs/dbraw/zinc/06/09/03/1118060903.db2.gz CZEDDWIOJVOGTB-WTIAFYNJSA-N 1 3 352.522 4.407 20 0 FIADHO CCO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463251294 1118060907 /nfs/dbraw/zinc/06/09/07/1118060907.db2.gz CZEDDWIOJVOGTB-WTIAFYNJSA-N 1 3 352.522 4.407 20 0 FIADHO CSCc1cccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463291626 1118087091 /nfs/dbraw/zinc/08/70/91/1118087091.db2.gz XINMBKGHJDCBKZ-UHFFFAOYSA-N 1 3 372.553 4.485 20 0 FIADHO Fc1ccc2c(c1)CC[C@H]([NH+]1CCC3(CN(Cc4ccccc4)C3)CC1)C2 ZINC001168438343 1118549260 /nfs/dbraw/zinc/54/92/60/1118549260.db2.gz ADVOLQWGTKIUTO-QHCPKHFHSA-N 1 3 364.508 4.281 20 0 FIADHO C[C@@H]1CCC[N@H+](CCCCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546619 1118551228 /nfs/dbraw/zinc/55/12/28/1118551228.db2.gz FZFGZLBISVOCJG-XMSQKQJNSA-N 1 3 355.501 4.412 20 0 FIADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546619 1118551231 /nfs/dbraw/zinc/55/12/31/1118551231.db2.gz FZFGZLBISVOCJG-XMSQKQJNSA-N 1 3 355.501 4.412 20 0 FIADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546617 1118551279 /nfs/dbraw/zinc/55/12/79/1118551279.db2.gz FZFGZLBISVOCJG-GCJKJVERSA-N 1 3 355.501 4.412 20 0 FIADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541546617 1118551282 /nfs/dbraw/zinc/55/12/82/1118551282.db2.gz FZFGZLBISVOCJG-GCJKJVERSA-N 1 3 355.501 4.412 20 0 FIADHO Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000541738764 1118627203 /nfs/dbraw/zinc/62/72/03/1118627203.db2.gz OYIGZMXYUSVTNM-QYRPDUKASA-N 1 3 369.578 4.445 20 0 FIADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000303090222 1118796839 /nfs/dbraw/zinc/79/68/39/1118796839.db2.gz ZHNSSGWGUUBAKR-HNNXBMFYSA-N 1 3 356.432 4.454 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852969 1118987090 /nfs/dbraw/zinc/98/70/90/1118987090.db2.gz PBFWUKMFNAOXBG-FUKQBSRTSA-N 1 3 352.522 4.405 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491852969 1118987093 /nfs/dbraw/zinc/98/70/93/1118987093.db2.gz PBFWUKMFNAOXBG-FUKQBSRTSA-N 1 3 352.522 4.405 20 0 FIADHO CCSc1cccc(C[NH2+]Cc2ccccc2N2CCN(CC)CC2)c1 ZINC000492313978 1119067203 /nfs/dbraw/zinc/06/72/03/1119067203.db2.gz QSDLEEHXMCZKTF-UHFFFAOYSA-N 1 3 369.578 4.230 20 0 FIADHO C[C@H]([NH2+]CCOc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492379027 1119079515 /nfs/dbraw/zinc/07/95/15/1119079515.db2.gz WBRUPHQOPRUOFF-HKUYNNGSSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@H](NCCOc1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492379027 1119079517 /nfs/dbraw/zinc/07/95/17/1119079517.db2.gz WBRUPHQOPRUOFF-HKUYNNGSSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@H](NCCOc1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492379027 1119079519 /nfs/dbraw/zinc/07/95/19/1119079519.db2.gz WBRUPHQOPRUOFF-HKUYNNGSSA-N 1 3 358.913 4.219 20 0 FIADHO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311066297 1119356483 /nfs/dbraw/zinc/35/64/83/1119356483.db2.gz JKVJXSWGIMAYNZ-WMZOPIPTSA-N 1 3 357.567 4.441 20 0 FIADHO CCC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000178520314 1119394853 /nfs/dbraw/zinc/39/48/53/1119394853.db2.gz ZGYSEKUNCDSBIJ-SFHVURJKSA-N 1 3 359.341 4.271 20 0 FIADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000312112554 1119402292 /nfs/dbraw/zinc/40/22/92/1119402292.db2.gz NBTSMUCCBCCROV-DXBBTUNJSA-N 1 3 356.554 4.082 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183196424 1119568472 /nfs/dbraw/zinc/56/84/72/1119568472.db2.gz NHPKBHIHABRBKT-BBTUJRGHSA-N 1 3 366.553 4.484 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183196424 1119568474 /nfs/dbraw/zinc/56/84/74/1119568474.db2.gz NHPKBHIHABRBKT-BBTUJRGHSA-N 1 3 366.553 4.484 20 0 FIADHO Cc1nc2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000494339730 1119828549 /nfs/dbraw/zinc/82/85/49/1119828549.db2.gz GPXUFWBVRLSVLB-UHFFFAOYSA-N 1 3 351.519 4.359 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000191460556 1119978174 /nfs/dbraw/zinc/97/81/74/1119978174.db2.gz MBYHUTSWQHLPDB-XMMPIXPASA-N 1 3 365.565 4.393 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000191460556 1119978176 /nfs/dbraw/zinc/97/81/76/1119978176.db2.gz MBYHUTSWQHLPDB-XMMPIXPASA-N 1 3 365.565 4.393 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000191510476 1119981188 /nfs/dbraw/zinc/98/11/88/1119981188.db2.gz WYVHJMZTPPAOGQ-HXUWFJFHSA-N 1 3 356.535 4.474 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000191510476 1119981190 /nfs/dbraw/zinc/98/11/90/1119981190.db2.gz WYVHJMZTPPAOGQ-HXUWFJFHSA-N 1 3 356.535 4.474 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374497 1119981651 /nfs/dbraw/zinc/98/16/51/1119981651.db2.gz XRAFDDDNGBPDSX-PZJWPPBQSA-N 1 3 360.505 4.045 20 0 FIADHO Cn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(C2CCCCC2)n1 ZINC000192927368 1120090573 /nfs/dbraw/zinc/09/05/73/1120090573.db2.gz IWRCCWFGKDZMPX-HXUWFJFHSA-N 1 3 366.553 4.080 20 0 FIADHO Fc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000192934806 1120091348 /nfs/dbraw/zinc/09/13/48/1120091348.db2.gz KOZVYPPTYQGFLC-QGZVFWFLSA-N 1 3 364.411 4.039 20 0 FIADHO Fc1ccc(CC[NH+]2CCC(NCc3ccc4ncccc4c3)CC2)cc1 ZINC000192978540 1120093240 /nfs/dbraw/zinc/09/32/40/1120093240.db2.gz JYJVPVPKPYGGIS-UHFFFAOYSA-N 1 3 363.480 4.171 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000123933771 1121646343 /nfs/dbraw/zinc/64/63/43/1121646343.db2.gz FGBGARIWPOEPBS-KRWDZBQOSA-N 1 3 354.494 4.150 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000123933771 1121646346 /nfs/dbraw/zinc/64/63/46/1121646346.db2.gz FGBGARIWPOEPBS-KRWDZBQOSA-N 1 3 354.494 4.150 20 0 FIADHO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000671754083 1121754167 /nfs/dbraw/zinc/75/41/67/1121754167.db2.gz QLGLYCARKRWYNY-TZRRMPRUSA-N 1 3 363.549 4.213 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000125183178 1121754219 /nfs/dbraw/zinc/75/42/19/1121754219.db2.gz YVNKMZIRSOTVBU-MOPGFXCFSA-N 1 3 354.542 4.281 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000125183178 1121754225 /nfs/dbraw/zinc/75/42/25/1121754225.db2.gz YVNKMZIRSOTVBU-MOPGFXCFSA-N 1 3 354.542 4.281 20 0 FIADHO C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761360 1121790187 /nfs/dbraw/zinc/79/01/87/1121790187.db2.gz XITOJDSMACUEAW-KSFYIVLOSA-N 1 3 365.477 4.239 20 0 FIADHO C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671761360 1121790196 /nfs/dbraw/zinc/79/01/96/1121790196.db2.gz XITOJDSMACUEAW-KSFYIVLOSA-N 1 3 365.477 4.239 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125730499 1121818152 /nfs/dbraw/zinc/81/81/52/1121818152.db2.gz YLZNBVBGADXAEW-OALUTQOASA-N 1 3 374.573 4.331 20 0 FIADHO COc1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC001168619658 1122167125 /nfs/dbraw/zinc/16/71/25/1122167125.db2.gz ZLUHQBNBAOWUMR-NFBKMPQASA-N 1 3 372.553 4.302 20 0 FIADHO C[NH+](C)[C@H]1C[C@@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000655826061 1122203542 /nfs/dbraw/zinc/20/35/42/1122203542.db2.gz FIKCVEJSDBNPGB-DRQUAOQDSA-N 1 3 369.456 4.259 20 0 FIADHO C[NH+](C)CCC1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000918000186 1122519739 /nfs/dbraw/zinc/51/97/39/1122519739.db2.gz XTHGWMWFWMMAAX-UHFFFAOYSA-N 1 3 368.550 4.227 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c2ccccc21 ZINC000556119355 1122670699 /nfs/dbraw/zinc/67/06/99/1122670699.db2.gz WIQLWPSMTDZINN-RXYZOABWSA-N 1 3 356.485 4.007 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000129861535 1122705453 /nfs/dbraw/zinc/70/54/53/1122705453.db2.gz JPTAVLOIQIEBRQ-JOCHJYFZSA-N 1 3 354.542 4.426 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000129861535 1122705456 /nfs/dbraw/zinc/70/54/56/1122705456.db2.gz JPTAVLOIQIEBRQ-JOCHJYFZSA-N 1 3 354.542 4.426 20 0 FIADHO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231492 1122748788 /nfs/dbraw/zinc/74/87/88/1122748788.db2.gz WFPYVTVTSFAHED-IFMALSPDSA-N 1 3 358.570 4.330 20 0 FIADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230729 1122757009 /nfs/dbraw/zinc/75/70/09/1122757009.db2.gz ANFIPZXFMCDWRS-XPWALMASSA-N 1 3 370.581 4.474 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]C2c3ccccc3-c3ccccc32)C[C@H](C)O1 ZINC000498451297 1122801334 /nfs/dbraw/zinc/80/13/34/1122801334.db2.gz GDUCQBWXPIENCH-HDICACEKSA-N 1 3 350.506 4.235 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000556605596 1122996938 /nfs/dbraw/zinc/99/69/38/1122996938.db2.gz BWMLIGVFGNHEPC-KRWDZBQOSA-N 1 3 366.347 4.148 20 0 FIADHO CN1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934431 1123247532 /nfs/dbraw/zinc/24/75/32/1123247532.db2.gz VDZREJXZBGQTDW-LJQANCHMSA-N 1 3 361.942 4.381 20 0 FIADHO CN1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC000556934431 1123247536 /nfs/dbraw/zinc/24/75/36/1123247536.db2.gz VDZREJXZBGQTDW-LJQANCHMSA-N 1 3 361.942 4.381 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232943 1123341609 /nfs/dbraw/zinc/34/16/09/1123341609.db2.gz ZFUNUWZLYUSKAJ-AGOPTVSRSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1cccc(F)c1 ZINC000499232943 1123341610 /nfs/dbraw/zinc/34/16/10/1123341610.db2.gz ZFUNUWZLYUSKAJ-AGOPTVSRSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000133465496 1123490041 /nfs/dbraw/zinc/49/00/41/1123490041.db2.gz USXJYDMYFNPYRR-LAUBAEHRSA-N 1 3 354.494 4.192 20 0 FIADHO COCc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1F ZINC000245769868 1124246084 /nfs/dbraw/zinc/24/60/84/1124246084.db2.gz XABLBCUBMJHQEH-KOUNCHBCSA-N 1 3 368.496 4.257 20 0 FIADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011296 1124736878 /nfs/dbraw/zinc/73/68/78/1124736878.db2.gz LHQFAXHEKUZTHB-PBHICJAKSA-N 1 3 359.514 4.258 20 0 FIADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000248011296 1124736883 /nfs/dbraw/zinc/73/68/83/1124736883.db2.gz LHQFAXHEKUZTHB-PBHICJAKSA-N 1 3 359.514 4.258 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CCC[N@H+](C)C2)CCC3)cc1 ZINC000248071246 1124741344 /nfs/dbraw/zinc/74/13/44/1124741344.db2.gz MOMKKABMBAPTSE-QAPCUYQASA-N 1 3 371.550 4.128 20 0 FIADHO COc1ccc(-c2nc3c(s2)[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CCC3)cc1 ZINC000248071246 1124741348 /nfs/dbraw/zinc/74/13/48/1124741348.db2.gz MOMKKABMBAPTSE-QAPCUYQASA-N 1 3 371.550 4.128 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000248441657 1124769176 /nfs/dbraw/zinc/76/91/76/1124769176.db2.gz KHKOEJBYPOFFJR-IAGOWNOFSA-N 1 3 364.942 4.209 20 0 FIADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000248441657 1124769183 /nfs/dbraw/zinc/76/91/83/1124769183.db2.gz KHKOEJBYPOFFJR-IAGOWNOFSA-N 1 3 364.942 4.209 20 0 FIADHO Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001168683860 1124801512 /nfs/dbraw/zinc/80/15/12/1124801512.db2.gz APMNAHDMRXGOHS-KLJZETAQSA-N 1 3 366.936 4.307 20 0 FIADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000249255960 1124852506 /nfs/dbraw/zinc/85/25/06/1124852506.db2.gz GNCKJSMCLYBNJU-QRVBRYPASA-N 1 3 354.460 4.262 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)ccc1OC ZINC000182285262 1125322497 /nfs/dbraw/zinc/32/24/97/1125322497.db2.gz YKPZUTVBPOAWMG-IERDGZPVSA-N 1 3 374.500 4.060 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCCCSC)cc1CN1CCCCC1 ZINC000182994549 1125713709 /nfs/dbraw/zinc/71/37/09/1125713709.db2.gz UYNOECYNMAMJOO-KRWDZBQOSA-N 1 3 350.572 4.475 20 0 FIADHO Brc1ccccc1C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547239 1079678180 /nfs/dbraw/zinc/67/81/80/1079678180.db2.gz BSOHHACQNCDQIP-FUHWJXTLSA-N 1 3 363.343 4.035 20 0 FIADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1Cl ZINC000247224872 1081076300 /nfs/dbraw/zinc/07/63/00/1081076300.db2.gz XXCZDGKUCXXPGI-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1Cl ZINC000247224872 1081076312 /nfs/dbraw/zinc/07/63/12/1081076312.db2.gz XXCZDGKUCXXPGI-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO C[NH+](C)C1CCC(NCc2oc3ccccc3c2Br)CC1 ZINC000655783320 1081196665 /nfs/dbraw/zinc/19/66/65/1081196665.db2.gz BPHVKODEKWKPAJ-UHFFFAOYSA-N 1 3 351.288 4.158 20 0 FIADHO COc1ccc([C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2Cl)cc1 ZINC000655804911 1081211731 /nfs/dbraw/zinc/21/17/31/1081211731.db2.gz FWMMZQZVRRXNIZ-XPIZARPCSA-N 1 3 358.913 4.368 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H](c1ccccc1)N(C)C ZINC000471601584 1082042573 /nfs/dbraw/zinc/04/25/73/1082042573.db2.gz JURLHZKSXPNEPE-CQIJRDABSA-N 1 3 357.586 4.311 20 0 FIADHO CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(C)C ZINC000580740886 1082115072 /nfs/dbraw/zinc/11/50/72/1082115072.db2.gz ZTSGUDDVECEITH-YOFSQIOKSA-N 1 3 360.542 4.177 20 0 FIADHO CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(C)C ZINC000580740886 1082115077 /nfs/dbraw/zinc/11/50/77/1082115077.db2.gz ZTSGUDDVECEITH-YOFSQIOKSA-N 1 3 360.542 4.177 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+]CCSCc3ccccc3)C2)cc1 ZINC000430760096 1083153954 /nfs/dbraw/zinc/15/39/54/1083153954.db2.gz QPERIILUCLTANP-QFIPXVFZSA-N 1 3 354.563 4.074 20 0 FIADHO CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658288434 1083394505 /nfs/dbraw/zinc/39/45/05/1083394505.db2.gz PHUYPAQOMKQNKC-CDNPAEQRSA-N 1 3 370.537 4.036 20 0 FIADHO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000658319514 1083406136 /nfs/dbraw/zinc/40/61/36/1083406136.db2.gz DSRAMHYCPDJCHQ-APWZRJJASA-N 1 3 355.551 4.404 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cccc(O)c1 ZINC000658320443 1083408565 /nfs/dbraw/zinc/40/85/65/1083408565.db2.gz YDENUTMZUMBHEX-WIYYLYMNSA-N 1 3 350.506 4.345 20 0 FIADHO c1cc(-c2ccccc2)oc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734888 1083493517 /nfs/dbraw/zinc/49/35/17/1083493517.db2.gz VEOVQZMSJRSMHA-UHFFFAOYSA-N 1 3 354.494 4.023 20 0 FIADHO C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000181342121 1083873715 /nfs/dbraw/zinc/87/37/15/1083873715.db2.gz PPIGFZGZDMVUMF-QGZVFWFLSA-N 1 3 371.525 4.050 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@]1(C)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000382384492 1084129604 /nfs/dbraw/zinc/12/96/04/1084129604.db2.gz SDBDFIMOLWISRV-PKTZIBPZSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@]1(C)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000382384492 1084129614 /nfs/dbraw/zinc/12/96/14/1084129614.db2.gz SDBDFIMOLWISRV-PKTZIBPZSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@@H](NCc1cnccc1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414239801 1084889822 /nfs/dbraw/zinc/88/98/22/1084889822.db2.gz ZDTBSLPFIWMDEY-QGZVFWFLSA-N 1 3 355.526 4.170 20 0 FIADHO C[C@@H](NCc1cnccc1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000414240339 1084891177 /nfs/dbraw/zinc/89/11/77/1084891177.db2.gz ZVWGKEWILJJZOD-QGZVFWFLSA-N 1 3 355.526 4.170 20 0 FIADHO CC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000414300389 1084991659 /nfs/dbraw/zinc/99/16/59/1084991659.db2.gz IUANONVUJBYFQI-OAQYLSRUSA-N 1 3 374.475 4.033 20 0 FIADHO Cc1ccc([C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C2CCC2)o1 ZINC000414305127 1085011290 /nfs/dbraw/zinc/01/12/90/1085011290.db2.gz NGIUNXLAMCPAKV-JOCHJYFZSA-N 1 3 368.521 4.046 20 0 FIADHO COCc1csc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000657470981 1085162804 /nfs/dbraw/zinc/16/28/04/1085162804.db2.gz XOIJFOIUHFGHRC-LJQANCHMSA-N 1 3 358.551 4.286 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)C[C@H](C)O1 ZINC000652166532 1085733502 /nfs/dbraw/zinc/73/35/02/1085733502.db2.gz VHTBRZOWHUVUGX-JQVVWYNYSA-N 1 3 359.558 4.182 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000120583603 1085852536 /nfs/dbraw/zinc/85/25/36/1085852536.db2.gz KLLOGDSRIUZRQV-QGZVFWFLSA-N 1 3 353.510 4.338 20 0 FIADHO COc1ccc([C@@H](N[C@H](C)C2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000090772242 1085883098 /nfs/dbraw/zinc/88/30/98/1085883098.db2.gz HERVJGPRHBBXKN-UZUQRXQVSA-N 1 3 368.521 4.113 20 0 FIADHO COc1ccccc1OC[C@@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090937715 1085908123 /nfs/dbraw/zinc/90/81/23/1085908123.db2.gz DCDBCXZAABSXCJ-SFHVURJKSA-N 1 3 360.542 4.097 20 0 FIADHO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295714 1086399808 /nfs/dbraw/zinc/39/98/08/1086399808.db2.gz HYEVVSGHLTXEBF-RHSMWYFYSA-N 1 3 374.916 4.163 20 0 FIADHO COc1cccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000662295537 1086401035 /nfs/dbraw/zinc/40/10/35/1086401035.db2.gz UUTARTJBJBKJLD-SFHVURJKSA-N 1 3 371.550 4.030 20 0 FIADHO COc1ccc(-c2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)cc1 ZINC000662311954 1086406821 /nfs/dbraw/zinc/40/68/21/1086406821.db2.gz DRETXBVRIBAUEY-DNVCBOLYSA-N 1 3 359.539 4.158 20 0 FIADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)CC3 ZINC000663468538 1086571549 /nfs/dbraw/zinc/57/15/49/1086571549.db2.gz LWCVRGLJVHKDQW-RBUKOAKNSA-N 1 3 351.538 4.045 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469980 1086575927 /nfs/dbraw/zinc/57/59/27/1086575927.db2.gz SHCQPUDPUWJRFY-QUCCMNQESA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469980 1086575940 /nfs/dbraw/zinc/57/59/40/1086575940.db2.gz SHCQPUDPUWJRFY-QUCCMNQESA-N 1 3 371.569 4.239 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469980 1086575952 /nfs/dbraw/zinc/57/59/52/1086575952.db2.gz SHCQPUDPUWJRFY-QUCCMNQESA-N 1 3 371.569 4.239 20 0 FIADHO C[C@@H]1C[N@H+](CCCNCc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346046 1086641260 /nfs/dbraw/zinc/64/12/60/1086641260.db2.gz KBBILSAYHZIFME-MRXNPFEDSA-N 1 3 362.514 4.145 20 0 FIADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3cccc(F)c3)s2)CCCO1 ZINC000432346046 1086641263 /nfs/dbraw/zinc/64/12/63/1086641263.db2.gz KBBILSAYHZIFME-MRXNPFEDSA-N 1 3 362.514 4.145 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425023 1086750257 /nfs/dbraw/zinc/75/02/57/1086750257.db2.gz SPUDTVTZEZPAMZ-JXFKEZNVSA-N 1 3 350.934 4.272 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)CCCO1 ZINC000432425023 1086750262 /nfs/dbraw/zinc/75/02/62/1086750262.db2.gz SPUDTVTZEZPAMZ-JXFKEZNVSA-N 1 3 350.934 4.272 20 0 FIADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000133130670 1087123704 /nfs/dbraw/zinc/12/37/04/1087123704.db2.gz DTFVJZVPHINWAV-UONOGXRCSA-N 1 3 357.325 4.145 20 0 FIADHO COC[C@H](CC1CCOCC1)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000657886015 1087535153 /nfs/dbraw/zinc/53/51/53/1087535153.db2.gz CFTOOSFGWPKVKB-KNQAVFIVSA-N 1 3 374.569 4.071 20 0 FIADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413577438 1087654516 /nfs/dbraw/zinc/65/45/16/1087654516.db2.gz NANSYPFVRRUKLD-UHFFFAOYSA-N 1 3 365.521 4.295 20 0 FIADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318406 1087688074 /nfs/dbraw/zinc/68/80/74/1087688074.db2.gz UCEBUKCDPORQEE-XLIONFOSSA-N 1 3 354.542 4.192 20 0 FIADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CCN1Cc1ccccc1 ZINC000093318406 1087688076 /nfs/dbraw/zinc/68/80/76/1087688076.db2.gz UCEBUKCDPORQEE-XLIONFOSSA-N 1 3 354.542 4.192 20 0 FIADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137316 1087741727 /nfs/dbraw/zinc/74/17/27/1087741727.db2.gz GLFMTADMPPNYJJ-DLBZAZTESA-N 1 3 364.942 4.209 20 0 FIADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137316 1087741740 /nfs/dbraw/zinc/74/17/40/1087741740.db2.gz GLFMTADMPPNYJJ-DLBZAZTESA-N 1 3 364.942 4.209 20 0 FIADHO CC(C)c1nc([C@H](C)NCC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000658163922 1087757314 /nfs/dbraw/zinc/75/73/14/1087757314.db2.gz BZXMSIFRCKIILI-INIZCTEOSA-N 1 3 358.555 4.224 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1F ZINC000658164838 1087760448 /nfs/dbraw/zinc/76/04/48/1087760448.db2.gz FVDVOGCTKMIHRP-NRFANRHFSA-N 1 3 359.464 4.313 20 0 FIADHO C[C@H](CCc1ccccc1F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165306 1087762442 /nfs/dbraw/zinc/76/24/42/1087762442.db2.gz IJCQZIOFOPWZEV-GOSISDBHSA-N 1 3 355.501 4.044 20 0 FIADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCCCC2 ZINC000658166756 1087762969 /nfs/dbraw/zinc/76/29/69/1087762969.db2.gz ONHFFQABZVIDTF-FCHUYYIVSA-N 1 3 371.569 4.011 20 0 FIADHO Cc1ccc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CCC2)o1 ZINC000658166296 1087763141 /nfs/dbraw/zinc/76/31/41/1087763141.db2.gz NSEOWILFEYXJRU-JOCHJYFZSA-N 1 3 353.510 4.326 20 0 FIADHO Cc1cc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)ccc1F ZINC000658168122 1087763789 /nfs/dbraw/zinc/76/37/89/1087763789.db2.gz VVMPMEPZBZJPCF-QHCPKHFHSA-N 1 3 367.512 4.482 20 0 FIADHO Cc1cc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)ccc1F ZINC000658168115 1087764966 /nfs/dbraw/zinc/76/49/66/1087764966.db2.gz VVMPMEPZBZJPCF-HSZRJFAPSA-N 1 3 367.512 4.482 20 0 FIADHO C[C@H]1CC2(CN1Cc1nc(-c3c(F)cccc3F)cs1)CC[NH2+]CC2 ZINC000424296634 1087902350 /nfs/dbraw/zinc/90/23/50/1087902350.db2.gz SCSUQQWVJLXXII-ZDUSSCGKSA-N 1 3 363.477 4.052 20 0 FIADHO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299763 1087904750 /nfs/dbraw/zinc/90/47/50/1087904750.db2.gz VREUQWFYPILBRO-SFHVURJKSA-N 1 3 371.569 4.336 20 0 FIADHO COc1ccc([C@H](C)NCc2ccc(F)c(C[NH+](C)C)c2)c(Cl)c1 ZINC000424319219 1087917618 /nfs/dbraw/zinc/91/76/18/1087917618.db2.gz SCKYLFNVZJTGTH-ZDUSSCGKSA-N 1 3 350.865 4.400 20 0 FIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000504896668 1087969125 /nfs/dbraw/zinc/96/91/25/1087969125.db2.gz ZDYQTFLXIBOYHO-CVDCTZTESA-N 1 3 363.549 4.081 20 0 FIADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1nc(-c2ccncc2)cs1 ZINC000415083148 1089139991 /nfs/dbraw/zinc/13/99/91/1089139991.db2.gz MZCTZVFJFWZNLJ-WMZOPIPTSA-N 1 3 358.555 4.038 20 0 FIADHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415090457 1089143430 /nfs/dbraw/zinc/14/34/30/1089143430.db2.gz OUZSMHLPZFZJHE-YADHBBJMSA-N 1 3 360.505 4.072 20 0 FIADHO Cc1cc(C)n(-c2ccccc2CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415090454 1089143977 /nfs/dbraw/zinc/14/39/77/1089143977.db2.gz OUZSMHLPZFZJHE-FCHUYYIVSA-N 1 3 360.505 4.072 20 0 FIADHO CC(C)(C)NCC[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000415092015 1089158391 /nfs/dbraw/zinc/15/83/91/1089158391.db2.gz RVEAGRJTKKDSOX-UHFFFAOYSA-N 1 3 359.341 4.019 20 0 FIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415093551 1089158735 /nfs/dbraw/zinc/15/87/35/1089158735.db2.gz VQZAIBHIQZDOMP-ZFCZOSEKSA-N 1 3 358.913 4.499 20 0 FIADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000415120969 1089182167 /nfs/dbraw/zinc/18/21/67/1089182167.db2.gz GWZRKDRRTQUJEA-TZIWHRDSSA-N 1 3 374.525 4.273 20 0 FIADHO Fc1ccc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000363863361 1090418473 /nfs/dbraw/zinc/41/84/73/1090418473.db2.gz KQVDCPTWPUDMDJ-IRLDBZIGSA-N 1 3 360.517 4.433 20 0 FIADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000660151625 1090655077 /nfs/dbraw/zinc/65/50/77/1090655077.db2.gz UQBNYJIGGFMWGM-FYYLOGMGSA-N 1 3 369.597 4.061 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759984 1090845319 /nfs/dbraw/zinc/84/53/19/1090845319.db2.gz BOMNJVSWNMSBOW-WMZHIEFXSA-N 1 3 370.512 4.200 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2)CCCO1 ZINC000584759984 1090845330 /nfs/dbraw/zinc/84/53/30/1090845330.db2.gz BOMNJVSWNMSBOW-WMZHIEFXSA-N 1 3 370.512 4.200 20 0 FIADHO CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069326 1091811340 /nfs/dbraw/zinc/81/13/40/1091811340.db2.gz OPLBRZOCYAKNHH-FGZHOGPDSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069326 1091811342 /nfs/dbraw/zinc/81/13/42/1091811342.db2.gz OPLBRZOCYAKNHH-FGZHOGPDSA-N 1 3 352.522 4.264 20 0 FIADHO N=C(NCCCC[NH3+])Nc1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC001167881151 1091950477 /nfs/dbraw/zinc/95/04/77/1091950477.db2.gz XJYCCTYKKYXLDI-UHFFFAOYSA-N 1 3 367.884 4.230 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512286058 1092009557 /nfs/dbraw/zinc/00/95/57/1092009557.db2.gz ADOCEWMLFDBZRI-UDIRQSBCSA-N 1 3 370.581 4.470 20 0 FIADHO CC(C)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000236701378 1092035880 /nfs/dbraw/zinc/03/58/80/1092035880.db2.gz LJMHSWKBOOVIRK-UHFFFAOYSA-N 1 3 374.475 4.464 20 0 FIADHO Cc1ccccc1OCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012156 1092332265 /nfs/dbraw/zinc/33/22/65/1092332265.db2.gz XBGWBVAVNLVPBA-PMACEKPBSA-N 1 3 352.522 4.405 20 0 FIADHO Clc1ccc(-c2nc(CNCC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000520959646 1092373771 /nfs/dbraw/zinc/37/37/71/1092373771.db2.gz ALPJHHNUMLBIGQ-UHFFFAOYSA-N 1 3 361.942 4.428 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(Cl)c2)CC1 ZINC000236803130 1092424532 /nfs/dbraw/zinc/42/45/32/1092424532.db2.gz QDHJMEIAIXZREF-UHFFFAOYSA-N 1 3 357.929 4.162 20 0 FIADHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442872578 1092819504 /nfs/dbraw/zinc/81/95/04/1092819504.db2.gz JUNMTAMBLFEZNC-GOSISDBHSA-N 1 3 371.491 4.162 20 0 FIADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000442877172 1092829807 /nfs/dbraw/zinc/82/98/07/1092829807.db2.gz QZVNAPGBATXDKE-GOSISDBHSA-N 1 3 371.491 4.018 20 0 FIADHO CCc1nc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000512636277 1093053925 /nfs/dbraw/zinc/05/39/25/1093053925.db2.gz KWGPJIKUDMDHPD-SESVDKBCSA-N 1 3 369.578 4.138 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+]CC3CCCCCC3)C3(C2)CCOCC3)cc1 ZINC000549867913 1093104595 /nfs/dbraw/zinc/10/45/95/1093104595.db2.gz HQZBXOGGMDJKOD-HSZRJFAPSA-N 1 3 370.581 4.475 20 0 FIADHO Cc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882857 1093399456 /nfs/dbraw/zinc/39/94/56/1093399456.db2.gz HDYVLYJEJLICFR-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882857 1093399464 /nfs/dbraw/zinc/39/94/64/1093399464.db2.gz HDYVLYJEJLICFR-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1 ZINC000549882857 1093399473 /nfs/dbraw/zinc/39/94/73/1093399473.db2.gz HDYVLYJEJLICFR-QHCPKHFHSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccc(NC(=O)[C@@H](NCCCC[N@@H+](C)C2CC2)c2ccccc2)cc1 ZINC000419300263 1093503509 /nfs/dbraw/zinc/50/35/09/1093503509.db2.gz LQMBSGBJVIYHPY-QFIPXVFZSA-N 1 3 365.521 4.139 20 0 FIADHO Cc1ccc(NC(=O)[C@@H](NCCCC[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000419300263 1093503516 /nfs/dbraw/zinc/50/35/16/1093503516.db2.gz LQMBSGBJVIYHPY-QFIPXVFZSA-N 1 3 365.521 4.139 20 0 FIADHO COc1ccc(Oc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000544183379 1093511409 /nfs/dbraw/zinc/51/14/09/1093511409.db2.gz FDUVRURZVFMUFQ-GOSISDBHSA-N 1 3 352.478 4.061 20 0 FIADHO CC[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C(=O)OC)cc1 ZINC000576408490 1093809126 /nfs/dbraw/zinc/80/91/26/1093809126.db2.gz STXAAQGBAOZRRA-QFIPXVFZSA-N 1 3 366.505 4.310 20 0 FIADHO CCC(CC)([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501004522 1094414399 /nfs/dbraw/zinc/41/43/99/1094414399.db2.gz BBYLWIOLZOYSRY-UHFFFAOYSA-N 1 3 365.993 4.361 20 0 FIADHO CC(C)C[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501057674 1094468288 /nfs/dbraw/zinc/46/82/88/1094468288.db2.gz XDUKEXHSUJXDLQ-NRFANRHFSA-N 1 3 365.993 4.433 20 0 FIADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000513708382 1094536847 /nfs/dbraw/zinc/53/68/47/1094536847.db2.gz RGNLMNIMCAEINT-QHCPKHFHSA-N 1 3 367.537 4.084 20 0 FIADHO CC(C)c1nc(CC[N@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041598 1094599756 /nfs/dbraw/zinc/59/97/56/1094599756.db2.gz UBRYCECCPNBFOR-OPVJXMOQSA-N 1 3 370.541 4.109 20 0 FIADHO CC(C)c1nc(CC[N@@H+](C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041598 1094599764 /nfs/dbraw/zinc/59/97/64/1094599764.db2.gz UBRYCECCPNBFOR-OPVJXMOQSA-N 1 3 370.541 4.109 20 0 FIADHO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1OC ZINC000502469993 1095497443 /nfs/dbraw/zinc/49/74/43/1095497443.db2.gz DMCSBZQJLXXDDZ-OTWHNJEPSA-N 1 3 374.569 4.186 20 0 FIADHO C[NH+](C)CCOc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000237195473 1095522783 /nfs/dbraw/zinc/52/27/83/1095522783.db2.gz PYLVGVDGNMQMSY-UHFFFAOYSA-N 1 3 353.293 4.224 20 0 FIADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074296 1096051094 /nfs/dbraw/zinc/05/10/94/1096051094.db2.gz QJOPOUFOBPDRHL-UYAOXDASSA-N 1 3 374.573 4.246 20 0 FIADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000503074296 1096051107 /nfs/dbraw/zinc/05/11/07/1096051107.db2.gz QJOPOUFOBPDRHL-UYAOXDASSA-N 1 3 374.573 4.246 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000503162523 1096100661 /nfs/dbraw/zinc/10/06/61/1096100661.db2.gz VBAUMFGEYBXHRI-AKHDSKFASA-N 1 3 357.542 4.261 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000503162523 1096100667 /nfs/dbraw/zinc/10/06/67/1096100667.db2.gz VBAUMFGEYBXHRI-AKHDSKFASA-N 1 3 357.542 4.261 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422701934 1096456913 /nfs/dbraw/zinc/45/69/13/1096456913.db2.gz JNTNNCGMGAYPQS-CYBMUJFWSA-N 1 3 363.427 4.250 20 0 FIADHO COc1cc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(C)C ZINC000422805429 1096496480 /nfs/dbraw/zinc/49/64/80/1096496480.db2.gz GSIYKGYULUUKPT-GJZGRUSLSA-N 1 3 357.498 4.056 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC000422862514 1096506562 /nfs/dbraw/zinc/50/65/62/1096506562.db2.gz PXDSEGPLFJWIJF-NEPJUHHUSA-N 1 3 352.309 4.437 20 0 FIADHO Clc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422906537 1096520843 /nfs/dbraw/zinc/52/08/43/1096520843.db2.gz KCWJCIDKPJHSJK-BHIFYINESA-N 1 3 370.924 4.254 20 0 FIADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422909865 1096521150 /nfs/dbraw/zinc/52/11/50/1096521150.db2.gz PDDMTAIKFKDGEP-CYFREDJKSA-N 1 3 374.532 4.076 20 0 FIADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc(C2CCCCC2)cs1 ZINC000422911372 1096521581 /nfs/dbraw/zinc/52/15/81/1096521581.db2.gz KPUSVCHKBDTWAC-VQIMIIECSA-N 1 3 357.567 4.281 20 0 FIADHO COC[C@H](CCC[NH3+])NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000422937182 1096529401 /nfs/dbraw/zinc/52/94/01/1096529401.db2.gz NSZQAIXJQSNJHG-SFHVURJKSA-N 1 3 367.320 4.426 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC1(c2ccc(Br)cc2)CCC1 ZINC000422947564 1096537085 /nfs/dbraw/zinc/53/70/85/1096537085.db2.gz YLAUOXYYWNGXHY-AWEZNQCLSA-N 1 3 374.326 4.341 20 0 FIADHO C[C@@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000423038639 1096557074 /nfs/dbraw/zinc/55/70/74/1096557074.db2.gz OTEVTTPRTZLNCV-CUHUQNRHSA-N 1 3 362.517 4.472 20 0 FIADHO c1cc2cc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2s1 ZINC000423120917 1096579127 /nfs/dbraw/zinc/57/91/27/1096579127.db2.gz HVDUCMGSXFNWKE-RXVVDRJESA-N 1 3 350.487 4.247 20 0 FIADHO CCOc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000414721075 1096607615 /nfs/dbraw/zinc/60/76/15/1096607615.db2.gz FJEMWPRQWIQLTP-FQEVSTJZSA-N 1 3 356.535 4.291 20 0 FIADHO CCOc1cccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000414724260 1096621728 /nfs/dbraw/zinc/62/17/28/1096621728.db2.gz RJNRXTCYIPWRQD-HXUWFJFHSA-N 1 3 356.535 4.291 20 0 FIADHO CCC(N)(CC)C[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423289950 1096635716 /nfs/dbraw/zinc/63/57/16/1096635716.db2.gz YOZIDZKAUIYVRZ-INIZCTEOSA-N 1 3 357.336 4.024 20 0 FIADHO Cc1c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1-c1ccc(F)cc1 ZINC000423290908 1096636268 /nfs/dbraw/zinc/63/62/68/1096636268.db2.gz FWUIXTDDFFDNML-GJZGRUSLSA-N 1 3 352.457 4.190 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423359227 1096656237 /nfs/dbraw/zinc/65/62/37/1096656237.db2.gz URWVPXAZXNVRFL-KHUIQGCPSA-N 1 3 361.533 4.431 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359227 1096656239 /nfs/dbraw/zinc/65/62/39/1096656239.db2.gz URWVPXAZXNVRFL-KHUIQGCPSA-N 1 3 361.533 4.431 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CCN[C@H](C)C2)nc1 ZINC000423390043 1096663579 /nfs/dbraw/zinc/66/35/79/1096663579.db2.gz VOVXMVFZKGMVGQ-XGRCMKMKSA-N 1 3 371.956 4.181 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000423390043 1096663589 /nfs/dbraw/zinc/66/35/89/1096663589.db2.gz VOVXMVFZKGMVGQ-XGRCMKMKSA-N 1 3 371.956 4.181 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CCN[C@H](C)C2)nc1 ZINC000423390037 1096663974 /nfs/dbraw/zinc/66/39/74/1096663974.db2.gz VOVXMVFZKGMVGQ-HVETUWLQSA-N 1 3 371.956 4.181 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000423390037 1096663976 /nfs/dbraw/zinc/66/39/76/1096663976.db2.gz VOVXMVFZKGMVGQ-HVETUWLQSA-N 1 3 371.956 4.181 20 0 FIADHO NC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C2CC3CC(C2)CC1C3 ZINC000423530376 1096708980 /nfs/dbraw/zinc/70/89/80/1096708980.db2.gz RHIRQZLREOUVQO-OQVIFBIZSA-N 1 3 372.528 4.037 20 0 FIADHO COc1ccc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000436278047 1098880984 /nfs/dbraw/zinc/88/09/84/1098880984.db2.gz AOKFCSXACPEDKK-UHFFFAOYSA-N 1 3 361.489 4.109 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447234 1099071793 /nfs/dbraw/zinc/07/17/93/1099071793.db2.gz PKNCLIJZTXZWHN-KGLIPLIRSA-N 1 3 372.340 4.127 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000533447234 1099071806 /nfs/dbraw/zinc/07/18/06/1099071806.db2.gz PKNCLIJZTXZWHN-KGLIPLIRSA-N 1 3 372.340 4.127 20 0 FIADHO c1ccc(-c2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)cn2)cc1 ZINC000533558028 1099167865 /nfs/dbraw/zinc/16/78/65/1099167865.db2.gz YVBQJOVYQYURSM-UHFFFAOYSA-N 1 3 364.537 4.232 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000467352573 1099538803 /nfs/dbraw/zinc/53/88/03/1099538803.db2.gz HXTGFDOOBFGJSW-OAQYLSRUSA-N 1 3 356.485 4.453 20 0 FIADHO CC(C)N(C)c1ccccc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000437096500 1099598662 /nfs/dbraw/zinc/59/86/62/1099598662.db2.gz MKHZMAQXAJYWDP-IBGZPJMESA-N 1 3 369.553 4.322 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125939 1099644556 /nfs/dbraw/zinc/64/45/56/1099644556.db2.gz HAPKXCNRQPQYTP-NQIIRXRSSA-N 1 3 352.526 4.012 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)[C@H](C)C1 ZINC000437125939 1099644566 /nfs/dbraw/zinc/64/45/66/1099644566.db2.gz HAPKXCNRQPQYTP-NQIIRXRSSA-N 1 3 352.526 4.012 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000648592478 1099749543 /nfs/dbraw/zinc/74/95/43/1099749543.db2.gz GXKMFGQLEXZVBS-YJBOKZPZSA-N 1 3 364.496 4.101 20 0 FIADHO CC(C)c1nc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000508693242 1099827243 /nfs/dbraw/zinc/82/72/43/1099827243.db2.gz CPNJAKCBBLYOLJ-PKOBYXMFSA-N 1 3 357.567 4.309 20 0 FIADHO COc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)ccc1SC ZINC000162578237 1099889203 /nfs/dbraw/zinc/88/92/03/1099889203.db2.gz JFEAMMIFDVSUKT-MRXNPFEDSA-N 1 3 374.550 4.208 20 0 FIADHO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508709834 1099898842 /nfs/dbraw/zinc/89/88/42/1099898842.db2.gz JWNLOLYUTWNSMH-ZMUKGBGYSA-N 1 3 364.533 4.407 20 0 FIADHO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508711775 1099903924 /nfs/dbraw/zinc/90/39/24/1099903924.db2.gz PDVKWNNWWQQBIQ-PKOBYXMFSA-N 1 3 369.578 4.065 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659682 1100129577 /nfs/dbraw/zinc/12/95/77/1100129577.db2.gz RLSRDSMMULFLMU-AZUAARDMSA-N 1 3 353.510 4.487 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@@H]1C ZINC000536659682 1100129579 /nfs/dbraw/zinc/12/95/79/1100129579.db2.gz RLSRDSMMULFLMU-AZUAARDMSA-N 1 3 353.510 4.487 20 0 FIADHO CCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000536673470 1100158946 /nfs/dbraw/zinc/15/89/46/1100158946.db2.gz UXKNESZSEICSPO-OAQYLSRUSA-N 1 3 368.521 4.048 20 0 FIADHO CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000536673470 1100158948 /nfs/dbraw/zinc/15/89/48/1100158948.db2.gz UXKNESZSEICSPO-OAQYLSRUSA-N 1 3 368.521 4.048 20 0 FIADHO CCOc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440427 1100175363 /nfs/dbraw/zinc/17/53/63/1100175363.db2.gz USMPOKPKQUUGBA-UZLBHIALSA-N 1 3 360.523 4.025 20 0 FIADHO CCOc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1O ZINC000459440427 1100175373 /nfs/dbraw/zinc/17/53/73/1100175373.db2.gz USMPOKPKQUUGBA-UZLBHIALSA-N 1 3 360.523 4.025 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000536855186 1100371877 /nfs/dbraw/zinc/37/18/77/1100371877.db2.gz ZMQGPBWLBNFYJO-MJXNMMHHSA-N 1 3 371.352 4.412 20 0 FIADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000536859032 1100374732 /nfs/dbraw/zinc/37/47/32/1100374732.db2.gz RKPVRMUTVRQKAA-NQIIRXRSSA-N 1 3 368.521 4.094 20 0 FIADHO c1cc(-c2n[nH]cc2CN2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000438104560 1100430625 /nfs/dbraw/zinc/43/06/25/1100430625.db2.gz NGMOITFEQNQPDX-UHFFFAOYSA-N 1 3 358.555 4.226 20 0 FIADHO CC1CC[NH+](Cc2ccc(CNCC3=Cc4ccccc4OC3)cc2)CC1 ZINC000517538136 1100459006 /nfs/dbraw/zinc/45/90/06/1100459006.db2.gz LYRXCQZJBZZVBD-UHFFFAOYSA-N 1 3 362.517 4.484 20 0 FIADHO CC(C)(C)[NH+]1CCC(NC2(Cc3ccccc3Br)CC2)CC1 ZINC000426341000 1101314977 /nfs/dbraw/zinc/31/49/77/1101314977.db2.gz XWWNARCCZYPFRD-UHFFFAOYSA-N 1 3 365.359 4.377 20 0 FIADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013767 1101393215 /nfs/dbraw/zinc/39/32/15/1101393215.db2.gz QODUNEOYGMFSCH-ZRBLBEILSA-N 1 3 374.544 4.415 20 0 FIADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013845 1101394083 /nfs/dbraw/zinc/39/40/83/1101394083.db2.gz SKVHNSHPAWIEIK-YPAWHYETSA-N 1 3 360.517 4.024 20 0 FIADHO c1csc(C[N@H+]2CCC[C@@H](CNCC3=Cc4ccccc4OC3)C2)c1 ZINC000102425689 1101526127 /nfs/dbraw/zinc/52/61/27/1101526127.db2.gz SIKYQTXIJVMJGA-KRWDZBQOSA-N 1 3 354.519 4.026 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@@H](CNCC3=Cc4ccccc4OC3)C2)c1 ZINC000102425689 1101526166 /nfs/dbraw/zinc/52/61/66/1101526166.db2.gz SIKYQTXIJVMJGA-KRWDZBQOSA-N 1 3 354.519 4.026 20 0 FIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996906 1101958140 /nfs/dbraw/zinc/95/81/40/1101958140.db2.gz SXEYZULUSUOOGX-WWMYMODYSA-N 1 3 356.485 4.396 20 0 FIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000397996906 1101958146 /nfs/dbraw/zinc/95/81/46/1101958146.db2.gz SXEYZULUSUOOGX-WWMYMODYSA-N 1 3 356.485 4.396 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996909 1101958520 /nfs/dbraw/zinc/95/85/20/1101958520.db2.gz SXEYZULUSUOOGX-XGHQBKJUSA-N 1 3 356.485 4.396 20 0 FIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000397996909 1101958529 /nfs/dbraw/zinc/95/85/29/1101958529.db2.gz SXEYZULUSUOOGX-XGHQBKJUSA-N 1 3 356.485 4.396 20 0 FIADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189555 1101996921 /nfs/dbraw/zinc/99/69/21/1101996921.db2.gz DJYYZIVJQXDJFF-PUHATCMVSA-N 1 3 370.581 4.474 20 0 FIADHO CCC[NH+](CCC)CCN1CCN([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168188750 1102193077 /nfs/dbraw/zinc/19/30/77/1102193077.db2.gz OHPLSCLYACUERN-LJQANCHMSA-N 1 3 365.993 4.011 20 0 FIADHO FC(F)(F)c1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971232 1102440531 /nfs/dbraw/zinc/44/05/31/1102440531.db2.gz UFJGGYALHLOBDC-AYHJJNSGSA-N 1 3 352.444 4.243 20 0 FIADHO FC(F)(F)c1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971232 1102440532 /nfs/dbraw/zinc/44/05/32/1102440532.db2.gz UFJGGYALHLOBDC-AYHJJNSGSA-N 1 3 352.444 4.243 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000280782126 1102717897 /nfs/dbraw/zinc/71/78/97/1102717897.db2.gz GWBFJZFPQXERNO-QFIPXVFZSA-N 1 3 353.510 4.043 20 0 FIADHO FC(F)Oc1ccccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000188722090 1102746380 /nfs/dbraw/zinc/74/63/80/1102746380.db2.gz JJYRFZIXVFWAFT-UHFFFAOYSA-N 1 3 352.469 4.217 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007037 1102758608 /nfs/dbraw/zinc/75/86/08/1102758608.db2.gz CJCMUSGMYRALRJ-VXKWHMMOSA-N 1 3 365.521 4.350 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007037 1102758620 /nfs/dbraw/zinc/75/86/20/1102758620.db2.gz CJCMUSGMYRALRJ-VXKWHMMOSA-N 1 3 365.521 4.350 20 0 FIADHO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000459358598 1102913021 /nfs/dbraw/zinc/91/30/21/1102913021.db2.gz BKTSKKLISONWFQ-VWTGBZJHSA-N 1 3 362.517 4.353 20 0 FIADHO CCCC(CCC)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265659 1103025601 /nfs/dbraw/zinc/02/56/01/1103025601.db2.gz YCIGFRMVHZYGKI-NRFANRHFSA-N 1 3 358.570 4.474 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000729678394 1103026912 /nfs/dbraw/zinc/02/69/12/1103026912.db2.gz TXVCUXVTQSCAGW-UHFFFAOYSA-N 1 3 364.533 4.463 20 0 FIADHO CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000729682733 1103050890 /nfs/dbraw/zinc/05/08/90/1103050890.db2.gz BVWNHARXRVECLM-UHFFFAOYSA-N 1 3 374.960 4.471 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H]1COc2ccccc21 ZINC000507485311 1103433713 /nfs/dbraw/zinc/43/37/13/1103433713.db2.gz LKOTXXATFBUPDU-CPWLSYGHSA-N 1 3 362.517 4.051 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000520203314 1104171366 /nfs/dbraw/zinc/17/13/66/1104171366.db2.gz XCSBFXJNZTXZOZ-QZTJIDSGSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000520203314 1104171377 /nfs/dbraw/zinc/17/13/77/1104171377.db2.gz XCSBFXJNZTXZOZ-QZTJIDSGSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441394328 1104327557 /nfs/dbraw/zinc/32/75/57/1104327557.db2.gz OHRBHWPSYDOZFQ-OGWOLHLISA-N 1 3 350.453 4.298 20 0 FIADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441394328 1104327565 /nfs/dbraw/zinc/32/75/65/1104327565.db2.gz OHRBHWPSYDOZFQ-OGWOLHLISA-N 1 3 350.453 4.298 20 0 FIADHO Clc1ccc(-c2cnc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647976682 1104484359 /nfs/dbraw/zinc/48/43/59/1104484359.db2.gz RZXJLUBFSBBHOK-IRXDYDNUSA-N 1 3 359.901 4.207 20 0 FIADHO Fc1ccc(C[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995145 1104486121 /nfs/dbraw/zinc/48/61/21/1104486121.db2.gz XSKBWDRWZOAJHQ-ATNRPFFGSA-N 1 3 356.529 4.486 20 0 FIADHO Fc1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995145 1104486126 /nfs/dbraw/zinc/48/61/26/1104486126.db2.gz XSKBWDRWZOAJHQ-ATNRPFFGSA-N 1 3 356.529 4.486 20 0 FIADHO Fc1ccccc1COC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995636 1104531466 /nfs/dbraw/zinc/53/14/66/1104531466.db2.gz MBWITNPBBFVXFY-WCRBZPEASA-N 1 3 372.528 4.212 20 0 FIADHO Fc1ccccc1COC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995636 1104531476 /nfs/dbraw/zinc/53/14/76/1104531476.db2.gz MBWITNPBBFVXFY-WCRBZPEASA-N 1 3 372.528 4.212 20 0 FIADHO COc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995686 1104541183 /nfs/dbraw/zinc/54/11/83/1104541183.db2.gz OABUNICWELQADF-CBQGHPETSA-N 1 3 354.538 4.280 20 0 FIADHO COc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995686 1104541187 /nfs/dbraw/zinc/54/11/87/1104541187.db2.gz OABUNICWELQADF-CBQGHPETSA-N 1 3 354.538 4.280 20 0 FIADHO COc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167995686 1104541192 /nfs/dbraw/zinc/54/11/92/1104541192.db2.gz OABUNICWELQADF-CBQGHPETSA-N 1 3 354.538 4.280 20 0 FIADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190591961 1104944207 /nfs/dbraw/zinc/94/42/07/1104944207.db2.gz COAPLIBVVAIELN-BLLLJJGKSA-N 1 3 357.361 4.283 20 0 FIADHO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc(C)c1OCc1ccccn1 ZINC000237186018 1104979874 /nfs/dbraw/zinc/97/98/74/1104979874.db2.gz DVYQCSDJTPJQBM-IFMALSPDSA-N 1 3 367.537 4.240 20 0 FIADHO C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000441629604 1105047838 /nfs/dbraw/zinc/04/78/38/1105047838.db2.gz XFWRRQOHGGAHNO-IBGZPJMESA-N 1 3 358.913 4.173 20 0 FIADHO C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000441629604 1105047841 /nfs/dbraw/zinc/04/78/41/1105047841.db2.gz XFWRRQOHGGAHNO-IBGZPJMESA-N 1 3 358.913 4.173 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375816 1105062915 /nfs/dbraw/zinc/06/29/15/1105062915.db2.gz PYOHKYIQFNZOEA-ZIAGYGMSSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000152375816 1105062922 /nfs/dbraw/zinc/06/29/22/1105062922.db2.gz PYOHKYIQFNZOEA-ZIAGYGMSSA-N 1 3 358.473 4.476 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C[C@@H](C)O1 ZINC000579545943 1105075917 /nfs/dbraw/zinc/07/59/17/1105075917.db2.gz KJYMRRHKUYUDRM-HMKPXIOTSA-N 1 3 356.554 4.223 20 0 FIADHO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000152415390 1105104914 /nfs/dbraw/zinc/10/49/14/1105104914.db2.gz UUNSJICMJIERPT-BLLLJJGKSA-N 1 3 355.309 4.281 20 0 FIADHO CCN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000665193459 1105197852 /nfs/dbraw/zinc/19/78/52/1105197852.db2.gz YIVJENNLQJZCLH-HXUWFJFHSA-N 1 3 372.557 4.009 20 0 FIADHO CCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000665193459 1105197853 /nfs/dbraw/zinc/19/78/53/1105197853.db2.gz YIVJENNLQJZCLH-HXUWFJFHSA-N 1 3 372.557 4.009 20 0 FIADHO C[C@@H]1CC(NCCOCc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168010064 1105231736 /nfs/dbraw/zinc/23/17/36/1105231736.db2.gz IZZJFTKMKVWJGB-WOJBJXKFSA-N 1 3 352.522 4.234 20 0 FIADHO C[NH+](C)CC1CCN(Cc2ccc(Br)c3ccccc23)CC1 ZINC001142054303 1107851419 /nfs/dbraw/zinc/85/14/19/1107851419.db2.gz UPVYEKGUQLCYIT-UHFFFAOYSA-N 1 3 361.327 4.376 20 0 FIADHO CCC[NH+]1CCN(c2ccccc2CNCc2cnc3ccccc3c2)CC1 ZINC000531784809 1108176116 /nfs/dbraw/zinc/17/61/16/1108176116.db2.gz QGCBCMVEXLTVGJ-UHFFFAOYSA-N 1 3 374.532 4.057 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)nn1C ZINC000453208582 1108277672 /nfs/dbraw/zinc/27/76/72/1108277672.db2.gz CHGGIICGGLSGCJ-CTNGQTDRSA-N 1 3 374.532 4.260 20 0 FIADHO c1cc2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@@H]43)nc2[nH]1 ZINC000453263044 1108335845 /nfs/dbraw/zinc/33/58/45/1108335845.db2.gz YLYABPCJJUQXOI-BHIFYINESA-N 1 3 360.505 4.096 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000531944050 1108388237 /nfs/dbraw/zinc/38/82/37/1108388237.db2.gz VOMRXFFPPBIJQW-SFHVURJKSA-N 1 3 374.573 4.331 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000532200996 1108706661 /nfs/dbraw/zinc/70/66/61/1108706661.db2.gz UILQUCKBGNOSRF-QGZVFWFLSA-N 1 3 365.521 4.264 20 0 FIADHO CCOc1cc2nccc(N3CCC4(CCC[N@@H+]4C)CC3)c2cc1OCC ZINC000445598494 1108911040 /nfs/dbraw/zinc/91/10/40/1108911040.db2.gz BAQACNMVGOERLJ-UHFFFAOYSA-N 1 3 369.509 4.097 20 0 FIADHO CCOc1cc2nccc(N3CCC4(CCC[N@H+]4C)CC3)c2cc1OCC ZINC000445598494 1108911044 /nfs/dbraw/zinc/91/10/44/1108911044.db2.gz BAQACNMVGOERLJ-UHFFFAOYSA-N 1 3 369.509 4.097 20 0 FIADHO FC(F)(F)c1cccc(OCCCCN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000524609608 1109096255 /nfs/dbraw/zinc/09/62/55/1109096255.db2.gz HGBPDISHTXRMLB-QGZVFWFLSA-N 1 3 370.459 4.282 20 0 FIADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835788 1109355844 /nfs/dbraw/zinc/35/58/44/1109355844.db2.gz QLHSPOKCKRRKEO-HTAPYJJXSA-N 1 3 366.530 4.189 20 0 FIADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2s1 ZINC000446835788 1109355848 /nfs/dbraw/zinc/35/58/48/1109355848.db2.gz QLHSPOKCKRRKEO-HTAPYJJXSA-N 1 3 366.530 4.189 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000527298596 1109735153 /nfs/dbraw/zinc/73/51/53/1109735153.db2.gz PIMPSLYCXXGGES-FPOVZHCZSA-N 1 3 364.599 4.122 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000527298596 1109735156 /nfs/dbraw/zinc/73/51/56/1109735156.db2.gz PIMPSLYCXXGGES-FPOVZHCZSA-N 1 3 364.599 4.122 20 0 FIADHO CCOCCC[N@@H+]1CC[C@@H](NCCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000527298598 1109735168 /nfs/dbraw/zinc/73/51/68/1109735168.db2.gz PIMPSLYCXXGGES-TZIWHRDSSA-N 1 3 364.599 4.122 20 0 FIADHO CCOCCC[N@H+]1CC[C@@H](NCCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000527298598 1109735170 /nfs/dbraw/zinc/73/51/70/1109735170.db2.gz PIMPSLYCXXGGES-TZIWHRDSSA-N 1 3 364.599 4.122 20 0 FIADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527854873 1109839671 /nfs/dbraw/zinc/83/96/71/1109839671.db2.gz WLVMJOWDASDDET-HXUWFJFHSA-N 1 3 362.876 4.197 20 0 FIADHO C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527971028 1109871384 /nfs/dbraw/zinc/87/13/84/1109871384.db2.gz UNILYUHNZJEKBO-HTAPYJJXSA-N 1 3 353.510 4.214 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2cccc(-n3ccnc3)c2)CC1 ZINC000449059563 1109965135 /nfs/dbraw/zinc/96/51/35/1109965135.db2.gz QFVHDKMAOZGRBE-HXUWFJFHSA-N 1 3 374.532 4.058 20 0 FIADHO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000449086050 1109971111 /nfs/dbraw/zinc/97/11/11/1109971111.db2.gz BLDWKWPOMSVLJF-KRWDZBQOSA-N 1 3 367.306 4.040 20 0 FIADHO Cc1nn(C)c(C)c1C[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449170215 1109988108 /nfs/dbraw/zinc/98/81/08/1109988108.db2.gz FQSZCXMAIKTIPZ-MRXNPFEDSA-N 1 3 362.606 4.237 20 0 FIADHO Cc1cn2c(n1)[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CCC2 ZINC000449171743 1109988649 /nfs/dbraw/zinc/98/86/49/1109988649.db2.gz UMFZZHXTBNHBKJ-SFHVURJKSA-N 1 3 360.590 4.338 20 0 FIADHO Cc1ccccc1-c1ccccc1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449184201 1109994099 /nfs/dbraw/zinc/99/40/99/1109994099.db2.gz DLBDBQIDDYIDGK-RPWUZVMVSA-N 1 3 364.533 4.129 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCc2cn3ccccc3n2)CC1 ZINC000449217863 1109999778 /nfs/dbraw/zinc/99/97/78/1109999778.db2.gz CJVJIJWEHATHOQ-UHFFFAOYSA-N 1 3 356.558 4.146 20 0 FIADHO CCOc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000538730764 1111266955 /nfs/dbraw/zinc/26/69/55/1111266955.db2.gz NBJIAUTYZPOTOX-OAQYLSRUSA-N 1 3 368.521 4.048 20 0 FIADHO CCOc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000538730764 1111266962 /nfs/dbraw/zinc/26/69/62/1111266962.db2.gz NBJIAUTYZPOTOX-OAQYLSRUSA-N 1 3 368.521 4.048 20 0 FIADHO Cc1ccc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000538725394 1111274684 /nfs/dbraw/zinc/27/46/84/1111274684.db2.gz SFQOTGQOYZYTPN-UHFFFAOYSA-N 1 3 368.521 4.332 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(-c2ccccc2)c1 ZINC000539062265 1111408232 /nfs/dbraw/zinc/40/82/32/1111408232.db2.gz VQBMQUPHQBNXLY-NWVWQQAFSA-N 1 3 364.533 4.382 20 0 FIADHO COc1ccc([C@H](CCC(C)C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000539062215 1111408301 /nfs/dbraw/zinc/40/83/01/1111408301.db2.gz UGNXNVWVANXOIX-VABKMULXSA-N 1 3 374.569 4.140 20 0 FIADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539218636 1111480424 /nfs/dbraw/zinc/48/04/24/1111480424.db2.gz XMPNSUFRAYNJDA-ZLNRFVROSA-N 1 3 374.544 4.415 20 0 FIADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOC1CCCCCC1)c1ccccc1O2 ZINC000539396075 1111541858 /nfs/dbraw/zinc/54/18/58/1111541858.db2.gz SJPRQYSKYPUGLL-OAQYLSRUSA-N 1 3 372.553 4.304 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477950938 1111611647 /nfs/dbraw/zinc/61/16/47/1111611647.db2.gz VBDXZJTYVXSOGN-SFHVURJKSA-N 1 3 374.573 4.333 20 0 FIADHO CCCN1CCC([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000552323976 1111669149 /nfs/dbraw/zinc/66/91/49/1111669149.db2.gz XHSRVAZPXQTEGX-HXUWFJFHSA-N 1 3 350.934 4.272 20 0 FIADHO CSCc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000552338420 1111680062 /nfs/dbraw/zinc/68/00/62/1111680062.db2.gz FEDRTNBEAJOXPH-KRWDZBQOSA-N 1 3 358.551 4.341 20 0 FIADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358116 1111998281 /nfs/dbraw/zinc/99/82/81/1111998281.db2.gz ITJOBOOUQXSMCA-GUYCJALGSA-N 1 3 351.332 4.103 20 0 FIADHO CC[N@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358116 1111998285 /nfs/dbraw/zinc/99/82/85/1111998285.db2.gz ITJOBOOUQXSMCA-GUYCJALGSA-N 1 3 351.332 4.103 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358116 1111998287 /nfs/dbraw/zinc/99/82/87/1111998287.db2.gz ITJOBOOUQXSMCA-GUYCJALGSA-N 1 3 351.332 4.103 20 0 FIADHO Fc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000479368077 1112001815 /nfs/dbraw/zinc/00/18/15/1112001815.db2.gz XSPXOXKUZUCUEO-KPZWWZAWSA-N 1 3 367.306 4.113 20 0 FIADHO Fc1ccc(C(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000479783896 1112140879 /nfs/dbraw/zinc/14/08/79/1112140879.db2.gz QWAOARZQMFFLBR-KDURUIRLSA-N 1 3 356.460 4.028 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000480610238 1112500577 /nfs/dbraw/zinc/50/05/77/1112500577.db2.gz NBFNZZLQBIIIBR-RDTXWAMCSA-N 1 3 358.357 4.060 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000480630551 1112510411 /nfs/dbraw/zinc/51/04/11/1112510411.db2.gz JZGFTFADSQPVNL-JKSUJKDBSA-N 1 3 352.494 4.006 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000480630551 1112510419 /nfs/dbraw/zinc/51/04/19/1112510419.db2.gz JZGFTFADSQPVNL-JKSUJKDBSA-N 1 3 352.494 4.006 20 0 FIADHO C[C@H]1C[NH+](Cc2ccc(CNCc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000480644120 1112519072 /nfs/dbraw/zinc/51/90/72/1112519072.db2.gz IJHCNHUCZRJTKR-GJZGRUSLSA-N 1 3 364.942 4.301 20 0 FIADHO CC(C)C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccs1 ZINC000480908248 1112672560 /nfs/dbraw/zinc/67/25/60/1112672560.db2.gz HPMVRVDPZVYMHN-OAQYLSRUSA-N 1 3 371.594 4.373 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000481313120 1112897230 /nfs/dbraw/zinc/89/72/30/1112897230.db2.gz JDLCVSDMDGHJDH-UGKGYDQZSA-N 1 3 374.569 4.235 20 0 FIADHO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000481325653 1112901127 /nfs/dbraw/zinc/90/11/27/1112901127.db2.gz WEZFBHNSCIUCSX-SFHVURJKSA-N 1 3 367.306 4.040 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000481418477 1112936786 /nfs/dbraw/zinc/93/67/86/1112936786.db2.gz LDSPMBVWEXLIOA-AYOQOUSVSA-N 1 3 371.491 4.018 20 0 FIADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cc2c(s1)CCCC2 ZINC000481734127 1113059744 /nfs/dbraw/zinc/05/97/44/1113059744.db2.gz GOIWIKUDAUFXSN-INIZCTEOSA-N 1 3 358.551 4.418 20 0 FIADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943042 1113135844 /nfs/dbraw/zinc/13/58/44/1113135844.db2.gz DYASQBIGVUHUCK-KSEOMHKRSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943042 1113135848 /nfs/dbraw/zinc/13/58/48/1113135848.db2.gz DYASQBIGVUHUCK-KSEOMHKRSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000481943042 1113135853 /nfs/dbraw/zinc/13/58/53/1113135853.db2.gz DYASQBIGVUHUCK-KSEOMHKRSA-N 1 3 369.553 4.163 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000482334314 1113228112 /nfs/dbraw/zinc/22/81/12/1113228112.db2.gz NSAZRZFUJIJXDC-JTSKRJEESA-N 1 3 371.569 4.320 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@@H](C)C1 ZINC000482334314 1113228115 /nfs/dbraw/zinc/22/81/15/1113228115.db2.gz NSAZRZFUJIJXDC-JTSKRJEESA-N 1 3 371.569 4.320 20 0 FIADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451278 1113263580 /nfs/dbraw/zinc/26/35/80/1113263580.db2.gz RXCFWQDHBBSMNC-REWPJTCUSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451278 1113263584 /nfs/dbraw/zinc/26/35/84/1113263584.db2.gz RXCFWQDHBBSMNC-REWPJTCUSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451278 1113263587 /nfs/dbraw/zinc/26/35/87/1113263587.db2.gz RXCFWQDHBBSMNC-REWPJTCUSA-N 1 3 352.522 4.301 20 0 FIADHO Clc1ccc2c(c1)[C@@H](NCC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000482540778 1113288071 /nfs/dbraw/zinc/28/80/71/1113288071.db2.gz UWOUWIMKQSBMCD-FQEVSTJZSA-N 1 3 362.945 4.342 20 0 FIADHO COc1ccc2oc(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc2c1 ZINC000486374954 1113555968 /nfs/dbraw/zinc/55/59/68/1113555968.db2.gz MTIGZBKBAUKKQX-HKUYNNGSSA-N 1 3 364.489 4.442 20 0 FIADHO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486381617 1113557318 /nfs/dbraw/zinc/55/73/18/1113557318.db2.gz YFHZXQZYVIZTLJ-APWZRJJASA-N 1 3 355.551 4.411 20 0 FIADHO CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486532978 1113589706 /nfs/dbraw/zinc/58/97/06/1113589706.db2.gz GZAUMMNTMSSFNW-PKOBYXMFSA-N 1 3 357.567 4.342 20 0 FIADHO Fc1ccc2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690394 1113624370 /nfs/dbraw/zinc/62/43/70/1113624370.db2.gz SSTKKVOFZAQAPU-OAHLLOKOSA-N 1 3 357.498 4.370 20 0 FIADHO Fc1ccc2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000486690394 1113624373 /nfs/dbraw/zinc/62/43/73/1113624373.db2.gz SSTKKVOFZAQAPU-OAHLLOKOSA-N 1 3 357.498 4.370 20 0 FIADHO Fc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c(Cl)c1 ZINC001168380184 1114494752 /nfs/dbraw/zinc/49/47/52/1114494752.db2.gz PXGFKVBUVFLXMH-UHFFFAOYSA-N 1 3 366.908 4.197 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641846 1114820523 /nfs/dbraw/zinc/82/05/23/1114820523.db2.gz QKRNCHBBTYRXJQ-ROUUACIJSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641846 1114820526 /nfs/dbraw/zinc/82/05/26/1114820526.db2.gz QKRNCHBBTYRXJQ-ROUUACIJSA-N 1 3 362.521 4.331 20 0 FIADHO C[C@@H]([NH3+])C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000573444644 1115103119 /nfs/dbraw/zinc/10/31/19/1115103119.db2.gz HKUFGHOLGBBLKM-CYBMUJFWSA-N 1 3 374.941 4.275 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc1OC ZINC000157829635 1115345240 /nfs/dbraw/zinc/34/52/40/1115345240.db2.gz NTJCSGYYZFJXKY-AQKFKSFVSA-N 1 3 360.542 4.145 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C[C@H](C)O1 ZINC000575110138 1115546059 /nfs/dbraw/zinc/54/60/59/1115546059.db2.gz RETBSCKXQAFOQG-LLGFUMIMSA-N 1 3 364.961 4.140 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C[C@H](C)O1 ZINC000575110137 1115546374 /nfs/dbraw/zinc/54/63/74/1115546374.db2.gz RETBSCKXQAFOQG-FVJLSDCUSA-N 1 3 364.961 4.140 20 0 FIADHO CCC(CC)(C[NH2+]Cc1cnc2ccccn12)N[C@H](C)c1ccccc1 ZINC000606914080 1115983030 /nfs/dbraw/zinc/98/30/30/1115983030.db2.gz OOVYOFZZJMWNMF-GOSISDBHSA-N 1 3 350.510 4.334 20 0 FIADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000534238069 1116174294 /nfs/dbraw/zinc/17/42/94/1116174294.db2.gz CCJCXQXJDRMYIV-HXUWFJFHSA-N 1 3 358.913 4.448 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793793 1116237379 /nfs/dbraw/zinc/23/73/79/1116237379.db2.gz PRHPDXBFRUDQNU-MEDUHNTESA-N 1 3 357.723 4.021 20 0 FIADHO COCC[NH+]1CCC(NCc2ccc(-c3cc(C)cc(C)c3)cc2)CC1 ZINC000462372118 1116339857 /nfs/dbraw/zinc/33/98/57/1116339857.db2.gz XINBKABQBURFIA-UHFFFAOYSA-N 1 3 352.522 4.171 20 0 FIADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3csc(C)n3)CC2)cc1 ZINC000462898428 1117847550 /nfs/dbraw/zinc/84/75/50/1117847550.db2.gz UEHNPIXAASGDQO-OAHLLOKOSA-N 1 3 359.539 4.023 20 0 FIADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3csc(C)n3)CC2)cc1 ZINC000462898427 1117848202 /nfs/dbraw/zinc/84/82/02/1117848202.db2.gz UEHNPIXAASGDQO-HNNXBMFYSA-N 1 3 359.539 4.023 20 0 FIADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC000540142637 1117895173 /nfs/dbraw/zinc/89/51/73/1117895173.db2.gz CNJBIYHYIAAZBH-QGZVFWFLSA-N 1 3 355.526 4.170 20 0 FIADHO COc1ccc2cc([C@@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000540171552 1117912681 /nfs/dbraw/zinc/91/26/81/1117912681.db2.gz RJOFTMNOKVAVGV-CEXWTWQISA-N 1 3 370.537 4.388 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000540170500 1117912853 /nfs/dbraw/zinc/91/28/53/1117912853.db2.gz ITRZJMXBZFVSLQ-XHSDSOJGSA-N 1 3 358.448 4.245 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000540171649 1117913473 /nfs/dbraw/zinc/91/34/73/1117913473.db2.gz UOGGBEZLSQYOSU-MDZRGWNJSA-N 1 3 366.933 4.033 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000540171648 1117913588 /nfs/dbraw/zinc/91/35/88/1117913588.db2.gz UOGGBEZLSQYOSU-JTDSTZFVSA-N 1 3 366.933 4.033 20 0 FIADHO CCc1cccc2c1OCC[C@H]2N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540178728 1117923438 /nfs/dbraw/zinc/92/34/38/1117923438.db2.gz FCXFGJUNQSGZQH-VGOFRKELSA-N 1 3 368.521 4.364 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000540262758 1117963153 /nfs/dbraw/zinc/96/31/53/1117963153.db2.gz HTPBALLKZWMMTA-DEOSSOPVSA-N 1 3 363.549 4.065 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147899 1117992178 /nfs/dbraw/zinc/99/21/78/1117992178.db2.gz REZNAWDKNMGREZ-WMZHIEFXSA-N 1 3 352.522 4.366 20 0 FIADHO CCOCc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463147899 1117992180 /nfs/dbraw/zinc/99/21/80/1117992180.db2.gz REZNAWDKNMGREZ-WMZHIEFXSA-N 1 3 352.522 4.366 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188880 1118007165 /nfs/dbraw/zinc/00/71/65/1118007165.db2.gz FKRDNPSABDVSFQ-NZQKXSOJSA-N 1 3 374.532 4.323 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000463188880 1118007171 /nfs/dbraw/zinc/00/71/71/1118007171.db2.gz FKRDNPSABDVSFQ-NZQKXSOJSA-N 1 3 374.532 4.323 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540992649 1118342275 /nfs/dbraw/zinc/34/22/75/1118342275.db2.gz YIULYTOEUVHGRV-FXAWDEMLSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540992649 1118342281 /nfs/dbraw/zinc/34/22/81/1118342281.db2.gz YIULYTOEUVHGRV-FXAWDEMLSA-N 1 3 370.562 4.216 20 0 FIADHO CC(C)c1ccc([C@@H](C)[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000541663171 1118596507 /nfs/dbraw/zinc/59/65/07/1118596507.db2.gz YJTOGSRGKKASSZ-HXUWFJFHSA-N 1 3 357.586 4.221 20 0 FIADHO CC[N@H+](C)C[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699590 /nfs/dbraw/zinc/69/95/90/1118699590.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 1 3 358.448 4.138 20 0 FIADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699593 /nfs/dbraw/zinc/69/95/93/1118699593.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 1 3 358.448 4.138 20 0 FIADHO CCN(C)C[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699596 /nfs/dbraw/zinc/69/95/96/1118699596.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 1 3 358.448 4.138 20 0 FIADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000464791400 1118699597 /nfs/dbraw/zinc/69/95/97/1118699597.db2.gz SSEHWKSZHYYQHN-INIZCTEOSA-N 1 3 358.448 4.138 20 0 FIADHO CSc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000173335228 1119034018 /nfs/dbraw/zinc/03/40/18/1119034018.db2.gz PCALBCSSHJNPGJ-SFHVURJKSA-N 1 3 369.578 4.007 20 0 FIADHO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000178258180 1119380698 /nfs/dbraw/zinc/38/06/98/1119380698.db2.gz HEGWLGQUBLKLAG-GOSISDBHSA-N 1 3 354.416 4.037 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000311771339 1119389196 /nfs/dbraw/zinc/38/91/96/1119389196.db2.gz GOFACDYYTCHQQF-XTQVGHSUSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771339 1119389202 /nfs/dbraw/zinc/38/92/02/1119389202.db2.gz GOFACDYYTCHQQF-XTQVGHSUSA-N 1 3 350.506 4.183 20 0 FIADHO Cc1nc2ccc(CNCCC[N@@H+]3CCc4ccccc4C3)cc2s1 ZINC000494339555 1119828250 /nfs/dbraw/zinc/82/82/50/1119828250.db2.gz FSSCOZFYUODYEY-UHFFFAOYSA-N 1 3 351.519 4.143 20 0 FIADHO Cc1nc2ccc(CNCCC[N@H+]3CCc4ccccc4C3)cc2s1 ZINC000494339555 1119828259 /nfs/dbraw/zinc/82/82/59/1119828259.db2.gz FSSCOZFYUODYEY-UHFFFAOYSA-N 1 3 351.519 4.143 20 0 FIADHO C[NH+](C)Cc1cccc(CNCc2ccc(Br)c(Cl)c2)c1 ZINC000192165517 1120034071 /nfs/dbraw/zinc/03/40/71/1120034071.db2.gz TVTGIFYPEHYUHZ-UHFFFAOYSA-N 1 3 367.718 4.454 20 0 FIADHO C[N@H+](CCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882553 1120356078 /nfs/dbraw/zinc/35/60/78/1120356078.db2.gz ZVHNQTKTABTBJB-NZQKXSOJSA-N 1 3 370.512 4.405 20 0 FIADHO C[N@@H+](CCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)Cc1ccccc1 ZINC000494882553 1120356083 /nfs/dbraw/zinc/35/60/83/1120356083.db2.gz ZVHNQTKTABTBJB-NZQKXSOJSA-N 1 3 370.512 4.405 20 0 FIADHO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001168488681 1120859088 /nfs/dbraw/zinc/85/90/88/1120859088.db2.gz SAMXSECKSBYZPL-SFHVURJKSA-N 1 3 356.485 4.338 20 0 FIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC[C@@H]3CCCN3C)s2)cc1 ZINC000542572386 1120965623 /nfs/dbraw/zinc/96/56/23/1120965623.db2.gz FBUZOMGFDGSVND-YOEHRIQHSA-N 1 3 359.539 4.262 20 0 FIADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000397543412 1121214802 /nfs/dbraw/zinc/21/48/02/1121214802.db2.gz CLYQXUONXGWQKT-QGZVFWFLSA-N 1 3 358.913 4.018 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739770 1121636960 /nfs/dbraw/zinc/63/69/60/1121636960.db2.gz OVVUQFDFUBPIHL-OAHLLOKOSA-N 1 3 353.466 4.226 20 0 FIADHO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000671754084 1121753882 /nfs/dbraw/zinc/75/38/82/1121753882.db2.gz QLGLYCARKRWYNY-WXFUMESZSA-N 1 3 363.549 4.213 20 0 FIADHO CN1CCC[C@@H]1CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000125376125 1121773573 /nfs/dbraw/zinc/77/35/73/1121773573.db2.gz QAHYTSNZBSHVFY-MRXNPFEDSA-N 1 3 371.352 4.459 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CC45CCOCC5)[C@@H]3C2)cc1 ZINC000671761459 1121790127 /nfs/dbraw/zinc/79/01/27/1121790127.db2.gz VDZKCPJRRYHFBK-GPJHCHHRSA-N 1 3 368.565 4.084 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000125567171 1121792373 /nfs/dbraw/zinc/79/23/73/1121792373.db2.gz QGMPWNFSJNRXBP-MOPGFXCFSA-N 1 3 374.573 4.333 20 0 FIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168608272 1121970396 /nfs/dbraw/zinc/97/03/96/1121970396.db2.gz CRNDTMNGIZNDQI-DENIHFKCSA-N 1 3 360.542 4.158 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008899 1121997267 /nfs/dbraw/zinc/99/72/67/1121997267.db2.gz USPYFVWZCSGBGR-IIBYNOLFSA-N 1 3 374.475 4.020 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008899 1121997272 /nfs/dbraw/zinc/99/72/72/1121997272.db2.gz USPYFVWZCSGBGR-IIBYNOLFSA-N 1 3 374.475 4.020 20 0 FIADHO COc1ccc(OC(F)F)c(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000497291864 1122005216 /nfs/dbraw/zinc/00/52/16/1122005216.db2.gz FLWWNOPHNREKOP-HOTGVXAUSA-N 1 3 370.484 4.144 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837333 1122015184 /nfs/dbraw/zinc/01/51/84/1122015184.db2.gz CRFSNDLUTXDSDK-DLBZAZTESA-N 1 3 372.534 4.082 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837333 1122015191 /nfs/dbraw/zinc/01/51/91/1122015191.db2.gz CRFSNDLUTXDSDK-DLBZAZTESA-N 1 3 372.534 4.082 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@@H+](Cc3ccccc3)C[C@@H](C)CN)CCO2)cc1 ZINC001168615491 1122069102 /nfs/dbraw/zinc/06/91/02/1122069102.db2.gz OFDINLDFYPIIFB-HARLFGEKSA-N 1 3 368.521 4.012 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([N@H+](Cc3ccccc3)C[C@@H](C)CN)CCO2)cc1 ZINC001168615491 1122069108 /nfs/dbraw/zinc/06/91/08/1122069108.db2.gz OFDINLDFYPIIFB-HARLFGEKSA-N 1 3 368.521 4.012 20 0 FIADHO COc1ccc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC001168619659 1122167417 /nfs/dbraw/zinc/16/74/17/1122167417.db2.gz ZLUHQBNBAOWUMR-NZQKXSOJSA-N 1 3 372.553 4.302 20 0 FIADHO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000542693571 1122289062 /nfs/dbraw/zinc/28/90/62/1122289062.db2.gz JVPIFISCNOFNHN-ZGYCNENWSA-N 1 3 356.460 4.478 20 0 FIADHO CC1CC[NH+](C2CCC(N[C@@H](c3ccccc3)c3cncnc3)CC2)CC1 ZINC000542704440 1122299564 /nfs/dbraw/zinc/29/95/64/1122299564.db2.gz JCFKDYNQNVEVSO-VNXZQDSDSA-N 1 3 364.537 4.199 20 0 FIADHO Cc1cc2ncn(CN3CCC(C[NH+]4CCCCCC4)CC3)c2cc1C ZINC000917443107 1122315157 /nfs/dbraw/zinc/31/51/57/1122315157.db2.gz PNCOTCBHEHWPDL-UHFFFAOYSA-N 1 3 354.542 4.199 20 0 FIADHO Cn1ncc2c1CCC[C@@H]2NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129872427 1122706043 /nfs/dbraw/zinc/70/60/43/1122706043.db2.gz FEDBLYWWWRSYLK-QFIPXVFZSA-N 1 3 366.553 4.352 20 0 FIADHO Cn1ncc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129872427 1122706048 /nfs/dbraw/zinc/70/60/48/1122706048.db2.gz FEDBLYWWWRSYLK-QFIPXVFZSA-N 1 3 366.553 4.352 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000556233982 1122750858 /nfs/dbraw/zinc/75/08/58/1122750858.db2.gz UJYVMEQNCIFCKZ-KNQAVFIVSA-N 1 3 356.554 4.084 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCC[C@@H]21 ZINC000556869709 1123150548 /nfs/dbraw/zinc/15/05/48/1123150548.db2.gz ANBHXMBKESMCKQ-GIWBLDEGSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCC[C@@H]21 ZINC000556869709 1123150551 /nfs/dbraw/zinc/15/05/51/1123150551.db2.gz ANBHXMBKESMCKQ-GIWBLDEGSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H]2CCC[C@@H]21 ZINC000556869908 1123153102 /nfs/dbraw/zinc/15/31/02/1123153102.db2.gz DAOWEFUOAKGFJA-RDGPPVDQSA-N 1 3 350.453 4.128 20 0 FIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H]2CCC[C@@H]21 ZINC000556869908 1123153105 /nfs/dbraw/zinc/15/31/05/1123153105.db2.gz DAOWEFUOAKGFJA-RDGPPVDQSA-N 1 3 350.453 4.128 20 0 FIADHO C[C@@H](COc1cccc(F)c1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499159599 1123299542 /nfs/dbraw/zinc/29/95/42/1123299542.db2.gz VRKNKJOJRZMVDW-MVWVFHAYSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@@H](COc1cccc(F)c1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499159599 1123299545 /nfs/dbraw/zinc/29/95/45/1123299545.db2.gz VRKNKJOJRZMVDW-MVWVFHAYSA-N 1 3 368.496 4.378 20 0 FIADHO CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499173544 1123306236 /nfs/dbraw/zinc/30/62/36/1123306236.db2.gz WJEOSLZANXWEIT-XQUALCHDSA-N 1 3 364.533 4.068 20 0 FIADHO COc1cc(C)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000499196957 1123316337 /nfs/dbraw/zinc/31/63/37/1123316337.db2.gz SUZWYTNSYUEREU-KOUNCHBCSA-N 1 3 350.506 4.289 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250181 1123358284 /nfs/dbraw/zinc/35/82/84/1123358284.db2.gz LTXODGDYFUCAJX-CIQXWFTPSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccc(F)cc1 ZINC000499250181 1123358288 /nfs/dbraw/zinc/35/82/88/1123358288.db2.gz LTXODGDYFUCAJX-CIQXWFTPSA-N 1 3 368.496 4.378 20 0 FIADHO C[C@H](N[C@@H]1CCCOc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000133524586 1123496073 /nfs/dbraw/zinc/49/60/73/1123496073.db2.gz PGIAEJVMFWCENG-LAUBAEHRSA-N 1 3 354.494 4.192 20 0 FIADHO CC(C)COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246300981 1124439383 /nfs/dbraw/zinc/43/93/83/1124439383.db2.gz DAWHEUAAUNYBGT-CDNPAEQRSA-N 1 3 374.569 4.140 20 0 FIADHO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc2ccccc21 ZINC000246364139 1124469664 /nfs/dbraw/zinc/46/96/64/1124469664.db2.gz ITQAJCZDAJYIBS-JJEOQYAHSA-N 1 3 352.522 4.258 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCCOc4ccccc43)C2)cc1 ZINC000246971868 1124577193 /nfs/dbraw/zinc/57/71/93/1124577193.db2.gz JNVYZAQGPKMMES-UNMCSNQZSA-N 1 3 350.506 4.055 20 0 FIADHO COc1cccc(-c2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000649417753 1124841760 /nfs/dbraw/zinc/84/17/60/1124841760.db2.gz DIRWBZARQDDIPJ-QZTJIDSGSA-N 1 3 371.550 4.030 20 0 FIADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000249145005 1124846333 /nfs/dbraw/zinc/84/63/33/1124846333.db2.gz WQNGHFOKUFLRJR-LEHRLTEOSA-N 1 3 356.554 4.082 20 0 FIADHO Cc1cc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)oc2cc1C ZINC000090524833 1125000704 /nfs/dbraw/zinc/00/07/04/1125000704.db2.gz SOADPUBJPVQBDF-YYWHXJBOSA-N 1 3 370.537 4.468 20 0 FIADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)s1 ZINC000090523669 1125000969 /nfs/dbraw/zinc/00/09/69/1125000969.db2.gz QQPVVNUPXDFGNO-JYJNAYRXSA-N 1 3 356.963 4.210 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000090524997 1125001928 /nfs/dbraw/zinc/00/19/28/1125001928.db2.gz UPIIHTRZCIDING-JVPBZIDWSA-N 1 3 370.459 4.124 20 0 FIADHO CCC[C@H](CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccccc1 ZINC000252733959 1125102581 /nfs/dbraw/zinc/10/25/81/1125102581.db2.gz XPRIWCKJRQTAIN-MQSCRBSSSA-N 1 3 357.586 4.061 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353998 1125229809 /nfs/dbraw/zinc/22/98/09/1125229809.db2.gz XSPFLSJGHYMVPU-GHTZIAJQSA-N 1 3 372.582 4.160 20 0 FIADHO CC(C)N(C)c1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000253353998 1125229813 /nfs/dbraw/zinc/22/98/13/1125229813.db2.gz XSPFLSJGHYMVPU-GHTZIAJQSA-N 1 3 372.582 4.160 20 0 FIADHO c1oc2ccccc2c1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603949940 568187106 /nfs/dbraw/zinc/18/71/06/568187106.db2.gz BQZAHKQLMJZXIB-UHFFFAOYSA-N 1 3 350.462 4.197 20 0 FIADHO C[N@@H+]1CCC[C@@H](CNCc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165438 568593845 /nfs/dbraw/zinc/59/38/45/568593845.db2.gz BRFZNWCVWXGTGI-PKOBYXMFSA-N 1 3 363.427 4.273 20 0 FIADHO C[N@H+]1CCC[C@@H](CNCc2ccncc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165438 568593846 /nfs/dbraw/zinc/59/38/46/568593846.db2.gz BRFZNWCVWXGTGI-PKOBYXMFSA-N 1 3 363.427 4.273 20 0 FIADHO Cc1[nH+]c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc2[nH]ccc21 ZINC001164995389 722206756 /nfs/dbraw/zinc/20/67/56/722206756.db2.gz NFEBGDUERRQHGM-JOCHJYFZSA-N 1 3 364.468 4.255 20 0 FIADHO Fc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000152765723 1125649190 /nfs/dbraw/zinc/64/91/90/1125649190.db2.gz QNWKHKQDYZTTGD-SFHVURJKSA-N 1 3 359.533 4.039 20 0 FIADHO COc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000153407319 1125789308 /nfs/dbraw/zinc/78/93/08/1125789308.db2.gz GASYZKZHMGLLHU-CVEARBPZSA-N 1 3 362.514 4.459 20 0 FIADHO COc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000153407319 1125789313 /nfs/dbraw/zinc/78/93/13/1125789313.db2.gz GASYZKZHMGLLHU-CVEARBPZSA-N 1 3 362.514 4.459 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180109078 1080449145 /nfs/dbraw/zinc/44/91/45/1080449145.db2.gz YUYMYGKGEZRZOA-JOCHJYFZSA-N 1 3 371.956 4.047 20 0 FIADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000651959341 1080963177 /nfs/dbraw/zinc/96/31/77/1080963177.db2.gz ISXNVCUUHWVDPV-HSZRJFAPSA-N 1 3 363.549 4.303 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(C(C)C)CC3)cc2)CC1 ZINC001648814446 1081219719 /nfs/dbraw/zinc/21/97/19/1081219719.db2.gz MOEWBVPJQPSQAQ-UHFFFAOYSA-N 1 3 357.586 4.129 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC001648826433 1081258861 /nfs/dbraw/zinc/25/88/61/1081258861.db2.gz GUFNGWGYJFSFIJ-UHFFFAOYSA-N 1 3 368.521 4.370 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000537956352 1081502476 /nfs/dbraw/zinc/50/24/76/1081502476.db2.gz NEIBTKNOENVGRG-UYHISHBKSA-N 1 3 357.325 4.022 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698466 1081594814 /nfs/dbraw/zinc/59/48/14/1081594814.db2.gz RFMYCAXVHFILTL-TZIWHRDSSA-N 1 3 368.521 4.267 20 0 FIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000312698466 1081594821 /nfs/dbraw/zinc/59/48/21/1081594821.db2.gz RFMYCAXVHFILTL-TZIWHRDSSA-N 1 3 368.521 4.267 20 0 FIADHO Brc1ccccc1[C@H](NCC1CC[NH2+]CC1)c1ccccc1 ZINC000564822308 1081905434 /nfs/dbraw/zinc/90/54/34/1081905434.db2.gz KNKLVWDGKRNZGC-LJQANCHMSA-N 1 3 359.311 4.128 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC000312925156 1082033890 /nfs/dbraw/zinc/03/38/90/1082033890.db2.gz DGQGDHZGSIEBPU-BJLQDIEVSA-N 1 3 368.521 4.265 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126410124 1082141365 /nfs/dbraw/zinc/14/13/65/1082141365.db2.gz HOKXJXKPYSPMCC-BRIRTLKKSA-N 1 3 372.557 4.226 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126410124 1082141367 /nfs/dbraw/zinc/14/13/67/1082141367.db2.gz HOKXJXKPYSPMCC-BRIRTLKKSA-N 1 3 372.557 4.226 20 0 FIADHO CCN(Cc1cn(C)nc1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000580801364 1082143125 /nfs/dbraw/zinc/14/31/25/1082143125.db2.gz FMRDWJYTFZXIPJ-UHFFFAOYSA-N 1 3 362.521 4.171 20 0 FIADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430581507 1082519051 /nfs/dbraw/zinc/51/90/51/1082519051.db2.gz OQWCGICURZOUTO-QKLQHJQFSA-N 1 3 351.494 4.059 20 0 FIADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430581509 1082519325 /nfs/dbraw/zinc/51/93/25/1082519325.db2.gz OQWCGICURZOUTO-SQGPQFPESA-N 1 3 351.494 4.059 20 0 FIADHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000076109724 1082733166 /nfs/dbraw/zinc/73/31/66/1082733166.db2.gz CMRXNWRXYCMKHP-FQEVSTJZSA-N 1 3 370.562 4.371 20 0 FIADHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1SC ZINC000076109724 1082733169 /nfs/dbraw/zinc/73/31/69/1082733169.db2.gz CMRXNWRXYCMKHP-FQEVSTJZSA-N 1 3 370.562 4.371 20 0 FIADHO COc1cccc(C2(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)CCC2)c1 ZINC000658324186 1083409953 /nfs/dbraw/zinc/40/99/53/1083409953.db2.gz ZMCXJFKVYGTTSS-SFHVURJKSA-N 1 3 368.521 4.366 20 0 FIADHO Cc1ccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000215636648 1083907824 /nfs/dbraw/zinc/90/78/24/1083907824.db2.gz SWIFNNVVBPMHBR-AWEZNQCLSA-N 1 3 365.949 4.264 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@@]1(C)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000382384490 1084129281 /nfs/dbraw/zinc/12/92/81/1084129281.db2.gz SDBDFIMOLWISRV-DHIUTWEWSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@@]1(C)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000382384490 1084129306 /nfs/dbraw/zinc/12/93/06/1084129306.db2.gz SDBDFIMOLWISRV-DHIUTWEWSA-N 1 3 350.506 4.184 20 0 FIADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2ccnn2CC2CC2)cc1 ZINC000657302967 1084332332 /nfs/dbraw/zinc/33/23/32/1084332332.db2.gz IILZBHZBLNSNDP-UHFFFAOYSA-N 1 3 374.532 4.312 20 0 FIADHO CN(Cc1ccc(Cl)cc1OC(F)(F)F)CC1CC[NH+](C)CC1 ZINC001143433491 1084496185 /nfs/dbraw/zinc/49/61/85/1084496185.db2.gz WWDGTYAJNREDOP-UHFFFAOYSA-N 1 3 350.812 4.012 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000072085635 1084655108 /nfs/dbraw/zinc/65/51/08/1084655108.db2.gz BCVFGDZCVQNRNK-KDURUIRLSA-N 1 3 352.522 4.161 20 0 FIADHO Fc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c2ncccc12 ZINC000613421385 1084712762 /nfs/dbraw/zinc/71/27/62/1084712762.db2.gz RJTGMJDSAWFLPM-UHFFFAOYSA-N 1 3 355.501 4.462 20 0 FIADHO CCC[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277066 1084958039 /nfs/dbraw/zinc/95/80/39/1084958039.db2.gz YWOHJSGXMGJGQI-DNVJHFABSA-N 1 3 367.537 4.050 20 0 FIADHO CCC[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1cccnc1 ZINC000414277066 1084958043 /nfs/dbraw/zinc/95/80/43/1084958043.db2.gz YWOHJSGXMGJGQI-DNVJHFABSA-N 1 3 367.537 4.050 20 0 FIADHO COCc1ccc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000549549503 1085672819 /nfs/dbraw/zinc/67/28/19/1085672819.db2.gz UDVDABGUWCVAKZ-RTBURBONSA-N 1 3 352.522 4.079 20 0 FIADHO c1ccc(C[C@H]2CC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613836 1085700234 /nfs/dbraw/zinc/70/02/34/1085700234.db2.gz SLNIOOQVXKYVAX-RPWUZVMVSA-N 1 3 363.549 4.295 20 0 FIADHO COCc1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000657659369 1085786057 /nfs/dbraw/zinc/78/60/57/1085786057.db2.gz GQOHMVOJCQQOIS-LJQANCHMSA-N 1 3 356.535 4.181 20 0 FIADHO COCc1csc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000657659369 1085786065 /nfs/dbraw/zinc/78/60/65/1085786065.db2.gz GQOHMVOJCQQOIS-LJQANCHMSA-N 1 3 356.535 4.181 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583063422 1086131239 /nfs/dbraw/zinc/13/12/39/1086131239.db2.gz SQKIQLDLPRJDCW-UGKGYDQZSA-N 1 3 350.506 4.184 20 0 FIADHO COc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583063422 1086131254 /nfs/dbraw/zinc/13/12/54/1086131254.db2.gz SQKIQLDLPRJDCW-UGKGYDQZSA-N 1 3 350.506 4.184 20 0 FIADHO C[C@H](c1cccc(Cl)c1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327351 1086418993 /nfs/dbraw/zinc/41/89/93/1086418993.db2.gz OEZJSBINPPYJCC-OAHLLOKOSA-N 1 3 372.944 4.471 20 0 FIADHO CC1CC[NH+](Cc2ccc(NC(=O)C[C@H]3NCc4ccccc43)cc2)CC1 ZINC000662387512 1086428430 /nfs/dbraw/zinc/42/84/30/1086428430.db2.gz GXSXGLYROWQQRG-JOCHJYFZSA-N 1 3 363.505 4.092 20 0 FIADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC(OC2CCCC2)CC1 ZINC000092759085 1086626540 /nfs/dbraw/zinc/62/65/40/1086626540.db2.gz TZUORZQCNRJCIS-UHFFFAOYSA-N 1 3 372.553 4.085 20 0 FIADHO CCOc1cc2c(cc1OCC)CN([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167842006 1086742443 /nfs/dbraw/zinc/74/24/43/1086742443.db2.gz VPGDQFSBRUDXKY-SFHVURJKSA-N 1 3 362.558 4.353 20 0 FIADHO C[NH2+]Cc1ccccc1CNCc1ccc(Br)cc1SC ZINC000650719102 1086800795 /nfs/dbraw/zinc/80/07/95/1086800795.db2.gz DAWWJMNLMBSLHR-UHFFFAOYSA-N 1 3 365.340 4.180 20 0 FIADHO CCC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000657771796 1086820982 /nfs/dbraw/zinc/82/09/82/1086820982.db2.gz GHBSADMVUYWFMB-OAQYLSRUSA-N 1 3 356.554 4.085 20 0 FIADHO CC(C)C(C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000583644325 1086892637 /nfs/dbraw/zinc/89/26/37/1086892637.db2.gz YUQQGXFCUBCEFA-JOCHJYFZSA-N 1 3 372.597 4.433 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000650757040 1086969453 /nfs/dbraw/zinc/96/94/53/1086969453.db2.gz NNBHWRSFMBMWIN-QFIPXVFZSA-N 1 3 350.506 4.288 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2c[nH]nc2-c2cccs2)CC1)CC1CC1 ZINC000536141421 1086986902 /nfs/dbraw/zinc/98/69/02/1086986902.db2.gz RKDMNFIHSJKIMI-UHFFFAOYSA-N 1 3 372.582 4.472 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2c[nH]nc2-c2cccs2)CC1)CC1CC1 ZINC000536141421 1086986904 /nfs/dbraw/zinc/98/69/04/1086986904.db2.gz RKDMNFIHSJKIMI-UHFFFAOYSA-N 1 3 372.582 4.472 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C3CCCCC3)s2)C[C@H](C)O1 ZINC000084018229 1087344703 /nfs/dbraw/zinc/34/47/03/1087344703.db2.gz JQVQJZPIVNLQHJ-CALCHBBNSA-N 1 3 365.587 4.170 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000090524294 1087412047 /nfs/dbraw/zinc/41/20/47/1087412047.db2.gz ZMQGPBWLBNFYJO-BKTGTZMESA-N 1 3 371.352 4.412 20 0 FIADHO CCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](C)c1cccnc1 ZINC000685469910 1087578297 /nfs/dbraw/zinc/57/82/97/1087578297.db2.gz NIIOGWZGQLMVGN-IBGZPJMESA-N 1 3 353.510 4.139 20 0 FIADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163178 1087758584 /nfs/dbraw/zinc/75/85/84/1087758584.db2.gz HXUZZJGRAWZXQS-GOSISDBHSA-N 1 3 363.505 4.261 20 0 FIADHO Cc1cccc(C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)c1 ZINC000658163780 1087759243 /nfs/dbraw/zinc/75/92/43/1087759243.db2.gz AZOYNZORPCEZNP-DEOSSOPVSA-N 1 3 363.549 4.213 20 0 FIADHO C[C@H]1CC2(CN1Cc1csc(-c3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000424299974 1087904479 /nfs/dbraw/zinc/90/44/79/1087904479.db2.gz WIPQLYAIALFVON-AWEZNQCLSA-N 1 3 361.942 4.428 20 0 FIADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OCCC(C)C ZINC000414811240 1088208716 /nfs/dbraw/zinc/20/87/16/1088208716.db2.gz PKMYILZNDNAMKZ-KRWDZBQOSA-N 1 3 356.510 4.430 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000163558143 1088210917 /nfs/dbraw/zinc/21/09/17/1088210917.db2.gz INUUZNMBMPZSOD-SSOJOUAXSA-N 1 3 358.551 4.117 20 0 FIADHO CSc1cc(Br)ccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815581 1088244405 /nfs/dbraw/zinc/24/44/05/1088244405.db2.gz XQNOTESQFHJGOY-GFCCVEGCSA-N 1 3 365.340 4.481 20 0 FIADHO CCOc1c(Cl)cc(CN[C@H](CCC[NH3+])c2ccccc2)cc1OC ZINC000415049429 1089084875 /nfs/dbraw/zinc/08/48/75/1089084875.db2.gz HFKNCEJIQSLSJR-GOSISDBHSA-N 1 3 362.901 4.317 20 0 FIADHO COc1ccccc1-c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059368 1089096115 /nfs/dbraw/zinc/09/61/15/1089096115.db2.gz WTXIQLRFNYGQDB-IFMALSPDSA-N 1 3 350.506 4.326 20 0 FIADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccc4)cc3F)CC2)C1 ZINC000415122056 1089185435 /nfs/dbraw/zinc/18/54/35/1089185435.db2.gz JIQTXVFHZFMEBC-FYYLOGMGSA-N 1 3 368.496 4.211 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435134420 1089318692 /nfs/dbraw/zinc/31/86/92/1089318692.db2.gz HOWNRFBIRWCBRK-UHFFFAOYSA-N 1 3 364.493 4.014 20 0 FIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435134420 1089318705 /nfs/dbraw/zinc/31/87/05/1089318705.db2.gz HOWNRFBIRWCBRK-UHFFFAOYSA-N 1 3 364.493 4.014 20 0 FIADHO Cc1nc2ccccn2c1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000514744535 1089421949 /nfs/dbraw/zinc/42/19/49/1089421949.db2.gz CNELJYDTHCIKEW-GOSISDBHSA-N 1 3 354.542 4.119 20 0 FIADHO Cc1nc2ccccn2c1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000514744535 1089421957 /nfs/dbraw/zinc/42/19/57/1089421957.db2.gz CNELJYDTHCIKEW-GOSISDBHSA-N 1 3 354.542 4.119 20 0 FIADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001625891370 1089758957 /nfs/dbraw/zinc/75/89/57/1089758957.db2.gz HGGKQQIHKCNGEN-GHTZIAJQSA-N 1 3 357.542 4.120 20 0 FIADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001625891370 1089758972 /nfs/dbraw/zinc/75/89/72/1089758972.db2.gz HGGKQQIHKCNGEN-GHTZIAJQSA-N 1 3 357.542 4.120 20 0 FIADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659867883 1089841273 /nfs/dbraw/zinc/84/12/73/1089841273.db2.gz XUFVGLHTZIGOPH-JTOYRKQZSA-N 1 3 369.597 4.061 20 0 FIADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659867883 1089841289 /nfs/dbraw/zinc/84/12/89/1089841289.db2.gz XUFVGLHTZIGOPH-JTOYRKQZSA-N 1 3 369.597 4.061 20 0 FIADHO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086770 1091029595 /nfs/dbraw/zinc/02/95/95/1091029595.db2.gz DQTKVMDTCRIDQP-TZIWHRDSSA-N 1 3 361.574 4.031 20 0 FIADHO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCN2CCN(C(C)C)CC2)o1 ZINC000500086770 1091029603 /nfs/dbraw/zinc/02/96/03/1091029603.db2.gz DQTKVMDTCRIDQP-TZIWHRDSSA-N 1 3 361.574 4.031 20 0 FIADHO C[C@H]1C[C@@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)CCN1C ZINC000390519707 1091163045 /nfs/dbraw/zinc/16/30/45/1091163045.db2.gz FSMVHZYGHNLXAZ-URXFXBBRSA-N 1 3 365.565 4.151 20 0 FIADHO COCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666935 1091379836 /nfs/dbraw/zinc/37/98/36/1091379836.db2.gz RDERSUAFSPEMLL-QFIPXVFZSA-N 1 3 352.522 4.223 20 0 FIADHO COCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390666935 1091379842 /nfs/dbraw/zinc/37/98/42/1091379842.db2.gz RDERSUAFSPEMLL-QFIPXVFZSA-N 1 3 352.522 4.223 20 0 FIADHO CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069336 1091811135 /nfs/dbraw/zinc/81/11/35/1091811135.db2.gz OPLBRZOCYAKNHH-YADHBBJMSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000391069336 1091811142 /nfs/dbraw/zinc/81/11/42/1091811142.db2.gz OPLBRZOCYAKNHH-YADHBBJMSA-N 1 3 352.522 4.264 20 0 FIADHO C[C@@H]1C[C@@H]([NH+]2C(C)(C)CC(N)CC2(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168012462 1092339807 /nfs/dbraw/zinc/33/98/07/1092339807.db2.gz ANVXJIAWGSJMRN-RMFSNUHRSA-N 1 3 357.586 4.408 20 0 FIADHO C[C@@H]1CC([NH2+][C@@H](CCO)c2ccc(F)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012515 1092341905 /nfs/dbraw/zinc/34/19/05/1092341905.db2.gz BHRVRYRTPBSTCE-PNCHPQGNSA-N 1 3 370.512 4.280 20 0 FIADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Oc1cccc(Br)c1 ZINC000512969909 1093606616 /nfs/dbraw/zinc/60/66/16/1093606616.db2.gz LPQBSCORZOIWOS-CQSZACIVSA-N 1 3 369.347 4.069 20 0 FIADHO Cc1c(F)cccc1[C@@H](CO)[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168031587 1093637771 /nfs/dbraw/zinc/63/77/71/1093637771.db2.gz ZZNBCXFJLXSHEX-HKARXFIJSA-N 1 3 370.512 4.199 20 0 FIADHO C[C@@H]1CC(NC[C@H]2CCc3ccccc3O2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168036726 1094297173 /nfs/dbraw/zinc/29/71/73/1094297173.db2.gz WSGFMFAQRJFOAW-DNVFCKCGSA-N 1 3 364.533 4.411 20 0 FIADHO CC[C@@H](C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501055094 1094466385 /nfs/dbraw/zinc/46/63/85/1094466385.db2.gz PZWPCXBCPGFBBL-WIYYLYMNSA-N 1 3 365.993 4.433 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000501060564 1094473246 /nfs/dbraw/zinc/47/32/46/1094473246.db2.gz SWOGLLIRKPSECI-QMMLZNLJSA-N 1 3 363.977 4.043 20 0 FIADHO Cc1ccc(CCC[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000474708072 1094531503 /nfs/dbraw/zinc/53/15/03/1094531503.db2.gz BMYAABDIWUYDOV-UHFFFAOYSA-N 1 3 371.956 4.478 20 0 FIADHO CCCN(CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420325007 1094888854 /nfs/dbraw/zinc/88/88/54/1094888854.db2.gz VXLMYNCVHAROPG-CQSZACIVSA-N 1 3 372.340 4.034 20 0 FIADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000420382946 1094906783 /nfs/dbraw/zinc/90/67/83/1094906783.db2.gz PZSGATSBQDECBN-KXBFYZLASA-N 1 3 364.942 4.273 20 0 FIADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccccc3Oc3ccccc3)CC2)C1 ZINC000420386644 1094906979 /nfs/dbraw/zinc/90/69/79/1094906979.db2.gz JBPMWPQZQLCKKH-REWPJTCUSA-N 1 3 366.505 4.197 20 0 FIADHO COc1ccc([C@@H](C[NH3+])CN[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000420416905 1094914097 /nfs/dbraw/zinc/91/40/97/1094914097.db2.gz WAXHYJDNMNBJSY-HIFRSBDPSA-N 1 3 352.400 4.107 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000522551457 1095134585 /nfs/dbraw/zinc/13/45/85/1095134585.db2.gz JBOGHZBVTSFAQJ-PZJWPPBQSA-N 1 3 351.538 4.003 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551457 1095134595 /nfs/dbraw/zinc/13/45/95/1095134595.db2.gz JBOGHZBVTSFAQJ-PZJWPPBQSA-N 1 3 351.538 4.003 20 0 FIADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC ZINC000502469991 1095498844 /nfs/dbraw/zinc/49/88/44/1095498844.db2.gz DMCSBZQJLXXDDZ-GBESFXJTSA-N 1 3 374.569 4.186 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000502880584 1095916089 /nfs/dbraw/zinc/91/60/89/1095916089.db2.gz QGNXQXUKYHZHSL-APWZRJJASA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000502880584 1095916090 /nfs/dbraw/zinc/91/60/90/1095916090.db2.gz QGNXQXUKYHZHSL-APWZRJJASA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502880584 1095916092 /nfs/dbraw/zinc/91/60/92/1095916092.db2.gz QGNXQXUKYHZHSL-APWZRJJASA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502880584 1095916097 /nfs/dbraw/zinc/91/60/97/1095916097.db2.gz QGNXQXUKYHZHSL-APWZRJJASA-N 1 3 350.934 4.087 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000421827991 1095940291 /nfs/dbraw/zinc/94/02/91/1095940291.db2.gz ALUMRHGBFMCODA-BXWFABGCSA-N 1 3 368.949 4.136 20 0 FIADHO COc1ccc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C(C)C)cc1 ZINC000422786472 1096491238 /nfs/dbraw/zinc/49/12/38/1096491238.db2.gz OXPSXOMLTIQWRH-YMPZKCBVSA-N 1 3 366.505 4.238 20 0 FIADHO COc1cccc([C@H](N[C@@H](C)CCCC[NH3+])c2cc(F)ccc2OC)c1 ZINC000422824994 1096500315 /nfs/dbraw/zinc/50/03/15/1096500315.db2.gz OVODNMHTDWURLX-BTYIYWSLSA-N 1 3 360.473 4.039 20 0 FIADHO c1nc2ccccc2n1Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422828252 1096500832 /nfs/dbraw/zinc/50/08/32/1096500832.db2.gz ODRSJNJTAHLAAZ-YPAWHYETSA-N 1 3 374.532 4.095 20 0 FIADHO FC(F)Oc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422832168 1096501294 /nfs/dbraw/zinc/50/12/94/1096501294.db2.gz UTWMUJIRBQSDGN-AKHDSKFASA-N 1 3 350.453 4.176 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(OC2CCCCC2)cc1 ZINC000422851355 1096504603 /nfs/dbraw/zinc/50/46/03/1096504603.db2.gz ORKSDAHEODMCIU-MRXNPFEDSA-N 1 3 353.510 4.411 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000422877046 1096509957 /nfs/dbraw/zinc/50/99/57/1096509957.db2.gz HGRWRSIDSYUFAG-KRWDZBQOSA-N 1 3 361.489 4.279 20 0 FIADHO Clc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422906539 1096520454 /nfs/dbraw/zinc/52/04/54/1096520454.db2.gz KCWJCIDKPJHSJK-YPAWHYETSA-N 1 3 370.924 4.254 20 0 FIADHO COc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC1CCCC1 ZINC000422944417 1096531712 /nfs/dbraw/zinc/53/17/12/1096531712.db2.gz SAKNRAPFVKKBKL-HNNXBMFYSA-N 1 3 369.509 4.030 20 0 FIADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422993766 1096542692 /nfs/dbraw/zinc/54/26/92/1096542692.db2.gz GDYXQTIXXUMNKC-BULFRSBZSA-N 1 3 353.510 4.198 20 0 FIADHO Clc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423021797 1096551744 /nfs/dbraw/zinc/55/17/44/1096551744.db2.gz CXHLGRLQGKECLJ-CGTJXYLNSA-N 1 3 357.325 4.020 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423040782 1096557607 /nfs/dbraw/zinc/55/76/07/1096557607.db2.gz HXTLVNRMPHKMRG-QWHCGFSZSA-N 1 3 351.416 4.149 20 0 FIADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000423067614 1096562881 /nfs/dbraw/zinc/56/28/81/1096562881.db2.gz ZZLQIFPGBPQJBM-VHSSKADRSA-N 1 3 361.411 4.019 20 0 FIADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000423067615 1096563465 /nfs/dbraw/zinc/56/34/65/1096563465.db2.gz ZZLQIFPGBPQJBM-XWIAVFTESA-N 1 3 361.411 4.019 20 0 FIADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423129807 1096581119 /nfs/dbraw/zinc/58/11/19/1096581119.db2.gz MIZCHZCUZFBLKG-CEWLAPEOSA-N 1 3 358.913 4.315 20 0 FIADHO Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000423169030 1096601108 /nfs/dbraw/zinc/60/11/08/1096601108.db2.gz IOXHKYVOQWBESD-LADGPHEKSA-N 1 3 358.485 4.494 20 0 FIADHO COCCC[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(Br)cc1 ZINC000423180408 1096606320 /nfs/dbraw/zinc/60/63/20/1096606320.db2.gz NNYLLUQZSGPPLQ-KRWDZBQOSA-N 1 3 369.347 4.168 20 0 FIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCC[NH2+]Cc1cccnc1 ZINC000423188382 1096611355 /nfs/dbraw/zinc/61/13/55/1096611355.db2.gz NPYZNRCAFYWVEK-MRXNPFEDSA-N 1 3 366.534 4.344 20 0 FIADHO Clc1ccc2c(c1Cl)CC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423190835 1096612524 /nfs/dbraw/zinc/61/25/24/1096612524.db2.gz RPQAPSWVAJPCMP-QGZVFWFLSA-N 1 3 350.293 4.145 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000423291522 1096636302 /nfs/dbraw/zinc/63/63/02/1096636302.db2.gz ISGPRSVNYFXKHU-NEPJUHHUSA-N 1 3 351.263 4.459 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000423293824 1096643251 /nfs/dbraw/zinc/64/32/51/1096643251.db2.gz SDLCTNDBAJJQDS-CHWSQXEVSA-N 1 3 350.409 4.167 20 0 FIADHO Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423300348 1096645770 /nfs/dbraw/zinc/64/57/70/1096645770.db2.gz RJARRCIXGBXMJK-MNOVXSKESA-N 1 3 368.344 4.126 20 0 FIADHO Brc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423333999 1096650027 /nfs/dbraw/zinc/65/00/27/1096650027.db2.gz FLLAHNCPWYWTRM-LJQANCHMSA-N 1 3 357.295 4.048 20 0 FIADHO [NH3+]CCCCN[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000423341271 1096651141 /nfs/dbraw/zinc/65/11/41/1096651141.db2.gz XZAKEWLTISENOK-KRWDZBQOSA-N 1 3 351.263 4.006 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000423354097 1096654167 /nfs/dbraw/zinc/65/41/67/1096654167.db2.gz CMYVVCQSTDWWMF-MHECFPHRSA-N 1 3 363.549 4.331 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423470582 1096693111 /nfs/dbraw/zinc/69/31/11/1096693111.db2.gz LKTSIEPUDFUPOL-UFWSDVQLSA-N 1 3 352.497 4.301 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCC(F)(F)CC1 ZINC000423471477 1096694531 /nfs/dbraw/zinc/69/45/31/1096694531.db2.gz MESVBQNZCAIBDZ-DKSSEZFCSA-N 1 3 354.460 4.322 20 0 FIADHO C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)N(C)Cc1ccccc1 ZINC000436241882 1098848089 /nfs/dbraw/zinc/84/80/89/1098848089.db2.gz LDPABSNTHJOYCT-INIZCTEOSA-N 1 3 354.523 4.138 20 0 FIADHO C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000436403974 1098993146 /nfs/dbraw/zinc/99/31/46/1098993146.db2.gz AUWJAMPAECOLIU-AEFFLSMTSA-N 1 3 351.469 4.307 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000648605952 1099778082 /nfs/dbraw/zinc/77/80/82/1099778082.db2.gz OOSAOXPWSAVIBB-OAQYLSRUSA-N 1 3 360.448 4.072 20 0 FIADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)Oc1cccc(F)c1 ZINC000508702102 1099857538 /nfs/dbraw/zinc/85/75/38/1099857538.db2.gz YNXRTPFAKIXUMC-GGPKGHCWSA-N 1 3 356.485 4.093 20 0 FIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659685 1100130024 /nfs/dbraw/zinc/13/00/24/1100130024.db2.gz RLSRDSMMULFLMU-UYAOXDASSA-N 1 3 353.510 4.487 20 0 FIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659685 1100130031 /nfs/dbraw/zinc/13/00/31/1100130031.db2.gz RLSRDSMMULFLMU-UYAOXDASSA-N 1 3 353.510 4.487 20 0 FIADHO Cc1cc(Cl)cc(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000536666024 1100141052 /nfs/dbraw/zinc/14/10/52/1100141052.db2.gz GFXZLQCUTGETLI-UHFFFAOYSA-N 1 3 350.934 4.034 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000536705905 1100212541 /nfs/dbraw/zinc/21/25/41/1100212541.db2.gz QIGPVYVRIJERGP-IBGZPJMESA-N 1 3 367.537 4.078 20 0 FIADHO CCN(Cc1cccc(COC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536708662 1100225468 /nfs/dbraw/zinc/22/54/68/1100225468.db2.gz LZGMJIAPVFEFMJ-HSZRJFAPSA-N 1 3 352.522 4.177 20 0 FIADHO CCN(Cc1cccc(COC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536708662 1100225475 /nfs/dbraw/zinc/22/54/75/1100225475.db2.gz LZGMJIAPVFEFMJ-HSZRJFAPSA-N 1 3 352.522 4.177 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000536859466 1100376248 /nfs/dbraw/zinc/37/62/48/1100376248.db2.gz UYNXXYJSRUBJBP-OWCLPIDISA-N 1 3 374.447 4.125 20 0 FIADHO Cc1ccc2cc([C@H](C)[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)oc2c1 ZINC000426044808 1100720410 /nfs/dbraw/zinc/72/04/10/1100720410.db2.gz ANCPXUSLGJPDPL-FFZOFVMBSA-N 1 3 356.510 4.160 20 0 FIADHO Fc1ccc([C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000352 1101388154 /nfs/dbraw/zinc/38/81/54/1101388154.db2.gz BKSROJDXAQVPRI-XXBNENTESA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000352 1101388167 /nfs/dbraw/zinc/38/81/67/1101388167.db2.gz BKSROJDXAQVPRI-XXBNENTESA-N 1 3 352.497 4.431 20 0 FIADHO Fc1ccc([C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000537000352 1101388177 /nfs/dbraw/zinc/38/81/77/1101388177.db2.gz BKSROJDXAQVPRI-XXBNENTESA-N 1 3 352.497 4.431 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161995 1101487283 /nfs/dbraw/zinc/48/72/83/1101487283.db2.gz WNRSOGZEJKTBQW-GFCCVEGCSA-N 1 3 352.309 4.488 20 0 FIADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368355 1101938034 /nfs/dbraw/zinc/93/80/34/1101938034.db2.gz KFYJXOZIPMGACW-BBWFWOEESA-N 1 3 350.934 4.222 20 0 FIADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368355 1101938039 /nfs/dbraw/zinc/93/80/39/1101938039.db2.gz KFYJXOZIPMGACW-BBWFWOEESA-N 1 3 350.934 4.222 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000123723458 1102010047 /nfs/dbraw/zinc/01/00/47/1102010047.db2.gz SYHVXCIFMVUCKI-CQSZACIVSA-N 1 3 352.400 4.498 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000415012836 1102248593 /nfs/dbraw/zinc/24/85/93/1102248593.db2.gz XRYDZVWRFGZCPO-FZCLSBEQSA-N 1 3 358.423 4.230 20 0 FIADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000040622757 1102344562 /nfs/dbraw/zinc/34/45/62/1102344562.db2.gz MCSMFMHUERKZJO-MXWWQKGMSA-N 1 3 351.332 4.015 20 0 FIADHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000532462203 1102369565 /nfs/dbraw/zinc/36/95/65/1102369565.db2.gz FYCKHHZGGCHRLC-QGZVFWFLSA-N 1 3 357.542 4.134 20 0 FIADHO CC1CCC([NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001168212878 1102490297 /nfs/dbraw/zinc/49/02/97/1102490297.db2.gz SVALUDBSRCKIHP-ACBHZAAOSA-N 1 3 362.583 4.382 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000122289661 1102556419 /nfs/dbraw/zinc/55/64/19/1102556419.db2.gz PSAYFFUNYDGQKV-RYRKJORJSA-N 1 3 350.572 4.024 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc3c(s2)CCC3)[C@H](C)C1 ZINC000122289661 1102556426 /nfs/dbraw/zinc/55/64/26/1102556426.db2.gz PSAYFFUNYDGQKV-RYRKJORJSA-N 1 3 350.572 4.024 20 0 FIADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000122410106 1102574702 /nfs/dbraw/zinc/57/47/02/1102574702.db2.gz BWIUMEVWPXMYLL-XMSQKQJNSA-N 1 3 372.553 4.114 20 0 FIADHO COc1cc(C)c([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000123005844 1102726523 /nfs/dbraw/zinc/72/65/23/1102726523.db2.gz DWXFPGHKOOSEAN-SFHVURJKSA-N 1 3 368.521 4.459 20 0 FIADHO CC1(C)CCC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550271813 1102904513 /nfs/dbraw/zinc/90/45/13/1102904513.db2.gz XIMBYRNLJCAVDM-VXKWHMMOSA-N 1 3 370.581 4.474 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000536626287 1102933842 /nfs/dbraw/zinc/93/38/42/1102933842.db2.gz WUPLGZZKPAXHPY-VCBZYWHSSA-N 1 3 356.913 4.267 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175389 1102948276 /nfs/dbraw/zinc/94/82/76/1102948276.db2.gz IGXVCXLKQKSYQB-JRGCBEDISA-N 1 3 354.469 4.247 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551175389 1102948281 /nfs/dbraw/zinc/94/82/81/1102948281.db2.gz IGXVCXLKQKSYQB-JRGCBEDISA-N 1 3 354.469 4.247 20 0 FIADHO C[C@H](CCC1CC1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263642 1103022398 /nfs/dbraw/zinc/02/23/98/1103022398.db2.gz DDUREAVJZFVRRR-KNQAVFIVSA-N 1 3 356.554 4.084 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H]1COc2ccccc21 ZINC000507485309 1103433258 /nfs/dbraw/zinc/43/32/58/1103433258.db2.gz LKOTXXATFBUPDU-CJTHLSDLSA-N 1 3 362.517 4.051 20 0 FIADHO Clc1ccc(SCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397529 1104330336 /nfs/dbraw/zinc/33/03/36/1104330336.db2.gz WSNYSMXVGLJFSA-HNAYVOBHSA-N 1 3 350.959 4.381 20 0 FIADHO Clc1ccc(SCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397529 1104330343 /nfs/dbraw/zinc/33/03/43/1104330343.db2.gz WSNYSMXVGLJFSA-HNAYVOBHSA-N 1 3 350.959 4.381 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441404532 1104344492 /nfs/dbraw/zinc/34/44/92/1104344492.db2.gz SWRMFXUHNWBXTA-APWZRJJASA-N 1 3 368.443 4.076 20 0 FIADHO FC(F)(F)Oc1cccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441404532 1104344504 /nfs/dbraw/zinc/34/45/04/1104344504.db2.gz SWRMFXUHNWBXTA-APWZRJJASA-N 1 3 368.443 4.076 20 0 FIADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507772686 1104959475 /nfs/dbraw/zinc/95/94/75/1104959475.db2.gz HPUMJZGQGSOTLP-SFHVURJKSA-N 1 3 370.512 4.017 20 0 FIADHO c1nc2ccccc2n1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001168004933 1105058680 /nfs/dbraw/zinc/05/86/80/1105058680.db2.gz CBOYWMQCFOIWKN-WCRBZPEASA-N 1 3 364.537 4.079 20 0 FIADHO c1nc2ccccc2n1C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004933 1105058687 /nfs/dbraw/zinc/05/86/87/1105058687.db2.gz CBOYWMQCFOIWKN-WCRBZPEASA-N 1 3 364.537 4.079 20 0 FIADHO c1nc2ccccc2n1C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168004933 1105058695 /nfs/dbraw/zinc/05/86/95/1105058695.db2.gz CBOYWMQCFOIWKN-WCRBZPEASA-N 1 3 364.537 4.079 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CC[N@@H+](C4CC4)C2)CCC3)cc1 ZINC000152394376 1105075305 /nfs/dbraw/zinc/07/53/05/1105075305.db2.gz QEVKVYHOLCHCOX-YJBOKZPZSA-N 1 3 353.535 4.261 20 0 FIADHO c1ccc(-c2nc3c(s2)[C@@H](NC[C@@H]2CC[N@H+](C4CC4)C2)CCC3)cc1 ZINC000152394376 1105075312 /nfs/dbraw/zinc/07/53/12/1105075312.db2.gz QEVKVYHOLCHCOX-YJBOKZPZSA-N 1 3 353.535 4.261 20 0 FIADHO C[C@@H]1CC(N[C@H]2COc3ccccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005194 1105076721 /nfs/dbraw/zinc/07/67/21/1105076721.db2.gz HUDSRRRUDKSMTR-JBYIUTFZSA-N 1 3 350.506 4.021 20 0 FIADHO Cc1ccn2c(C[NH2+]C3C[C@@H](C)N(Cc4ccccc4)[C@H](C)C3)cnc2c1 ZINC001168006816 1105119128 /nfs/dbraw/zinc/11/91/28/1105119128.db2.gz PEQBUMIEUKHOMV-RTBURBONSA-N 1 3 362.521 4.174 20 0 FIADHO Cc1cccc2ncc(C[NH2+][C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)n21 ZINC001168008291 1105178644 /nfs/dbraw/zinc/17/86/44/1105178644.db2.gz XCCSUWASVXAKNT-CEQLMSFQSA-N 1 3 362.521 4.174 20 0 FIADHO CCOC(=O)C1(C)CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168065427 1106913125 /nfs/dbraw/zinc/91/31/25/1106913125.db2.gz VTUNQZVVONBFEM-OALUTQOASA-N 1 3 372.553 4.093 20 0 FIADHO Clc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530221137 1106914647 /nfs/dbraw/zinc/91/46/47/1106914647.db2.gz NOOIICFUAVILAO-SVFBPWRDSA-N 1 3 354.881 4.173 20 0 FIADHO Clc1c2ccccc2sc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239961 1106922491 /nfs/dbraw/zinc/92/24/91/1106922491.db2.gz JHFCUWPFZKQWTL-OAHLLOKOSA-N 1 3 364.942 4.145 20 0 FIADHO COc1cc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(-c2ccccc2)cc1OC ZINC000530675905 1107248541 /nfs/dbraw/zinc/24/85/41/1107248541.db2.gz ZQPVHMQHOCPZDL-WOJBJXKFSA-N 1 3 368.521 4.333 20 0 FIADHO Brc1ccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000475562828 1107744686 /nfs/dbraw/zinc/74/46/86/1107744686.db2.gz DYHIULDTLQRJSW-UHFFFAOYSA-N 1 3 363.343 4.302 20 0 FIADHO COc1ccc(CN(C)[C@H]2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655847 1108050563 /nfs/dbraw/zinc/05/05/63/1108050563.db2.gz BDLSWMLWDAVVOA-NRFANRHFSA-N 1 3 368.521 4.190 20 0 FIADHO COc1ccc(CN(C)[C@H]2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000444655847 1108050577 /nfs/dbraw/zinc/05/05/77/1108050577.db2.gz BDLSWMLWDAVVOA-NRFANRHFSA-N 1 3 368.521 4.190 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531690285 1108057031 /nfs/dbraw/zinc/05/70/31/1108057031.db2.gz LPUIKUYOKQICQG-KRWDZBQOSA-N 1 3 365.521 4.264 20 0 FIADHO FC(F)(F)C[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689652 1108091607 /nfs/dbraw/zinc/09/16/07/1108091607.db2.gz GPEXYPOOJRBXIA-GFCAHOMWSA-N 1 3 358.370 4.091 20 0 FIADHO FC(F)(F)C[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444689652 1108091626 /nfs/dbraw/zinc/09/16/26/1108091626.db2.gz GPEXYPOOJRBXIA-GFCAHOMWSA-N 1 3 358.370 4.091 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(CN(C)C)cc3)cc2)C1 ZINC000523381361 1108163723 /nfs/dbraw/zinc/16/37/23/1108163723.db2.gz JWJOQRPUWVSHPA-SFHVURJKSA-N 1 3 365.521 4.232 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(CN(C)C)cc3)cc2)C1 ZINC000523381361 1108163725 /nfs/dbraw/zinc/16/37/25/1108163725.db2.gz JWJOQRPUWVSHPA-SFHVURJKSA-N 1 3 365.521 4.232 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@H](C3CC3)C3CCC3)C3(C2)CCOCC3)cc1 ZINC000453218068 1108289070 /nfs/dbraw/zinc/28/90/70/1108289070.db2.gz GGPWCKDXEUDOFC-PKTZIBPZSA-N 1 3 368.565 4.084 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000531960117 1108453272 /nfs/dbraw/zinc/45/32/72/1108453272.db2.gz AURQBKMHLCEFQP-JOCHJYFZSA-N 1 3 370.562 4.137 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000453388516 1108474254 /nfs/dbraw/zinc/47/42/54/1108474254.db2.gz WOFFGNZOKRUJKD-XMSQKQJNSA-N 1 3 360.542 4.101 20 0 FIADHO CCN(CC)Cc1cc([C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000453388516 1108474269 /nfs/dbraw/zinc/47/42/69/1108474269.db2.gz WOFFGNZOKRUJKD-XMSQKQJNSA-N 1 3 360.542 4.101 20 0 FIADHO Cc1cc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)o1 ZINC000447560011 1109581526 /nfs/dbraw/zinc/58/15/26/1109581526.db2.gz BSYMKQADEDAUGK-CVEARBPZSA-N 1 3 359.489 4.199 20 0 FIADHO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)o1 ZINC000447560011 1109581530 /nfs/dbraw/zinc/58/15/30/1109581530.db2.gz BSYMKQADEDAUGK-CVEARBPZSA-N 1 3 359.489 4.199 20 0 FIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Br ZINC000447582248 1109585742 /nfs/dbraw/zinc/58/57/42/1109585742.db2.gz VYIGWKCRXDGBAF-GFCCVEGCSA-N 1 3 355.295 4.113 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000447587046 1109588252 /nfs/dbraw/zinc/58/82/52/1109588252.db2.gz PYENBPMAUKTDRD-ZIFCJYIRSA-N 1 3 370.493 4.018 20 0 FIADHO COC(=O)c1coc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000447587046 1109588253 /nfs/dbraw/zinc/58/82/53/1109588253.db2.gz PYENBPMAUKTDRD-ZIFCJYIRSA-N 1 3 370.493 4.018 20 0 FIADHO COc1ccc(C2([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)cc1 ZINC000447589940 1109589046 /nfs/dbraw/zinc/58/90/46/1109589046.db2.gz ZGFVPTLNDRZUMY-DKUWSORSSA-N 1 3 362.517 4.470 20 0 FIADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449016116 1109954477 /nfs/dbraw/zinc/95/44/77/1109954477.db2.gz MTAPONSESLKLLY-UHFFFAOYSA-N 1 3 365.493 4.252 20 0 FIADHO CCSc1cc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)ccn1 ZINC000449261327 1110017869 /nfs/dbraw/zinc/01/78/69/1110017869.db2.gz ZQIARVVOPFAVKN-SFHVURJKSA-N 1 3 369.578 4.379 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCC34CCC4)C3(C2)CCOCC3)cc1 ZINC000449343625 1110034630 /nfs/dbraw/zinc/03/46/30/1110034630.db2.gz LXEBUXIIVXIMIV-FGZHOGPDSA-N 1 3 368.565 4.228 20 0 FIADHO CC(C)(C)N1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000538551948 1111189534 /nfs/dbraw/zinc/18/95/34/1111189534.db2.gz LNFYAZXWPMDPMD-UHFFFAOYSA-N 1 3 351.332 4.291 20 0 FIADHO CCCN1CCC([NH2+][C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539296727 1111506288 /nfs/dbraw/zinc/50/62/88/1111506288.db2.gz KGSLQOLNNHKDBE-VQTJNVASSA-N 1 3 367.940 4.078 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1O2 ZINC000539370363 1111533365 /nfs/dbraw/zinc/53/33/65/1111533365.db2.gz SSGUCMZYODDNIZ-FQEVSTJZSA-N 1 3 370.924 4.460 20 0 FIADHO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000552056188 1111559756 /nfs/dbraw/zinc/55/97/56/1111559756.db2.gz VWGDNNFWMGWYJE-QPTUXGOLSA-N 1 3 363.549 4.213 20 0 FIADHO c1ccc(CN2C[C@@H](C[NH2+]CCC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000552362756 1111685564 /nfs/dbraw/zinc/68/55/64/1111685564.db2.gz LHKSELIFWAIATE-HSZRJFAPSA-N 1 3 370.581 4.475 20 0 FIADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000479348629 1111995756 /nfs/dbraw/zinc/99/57/56/1111995756.db2.gz QYMHSSAOEJIVIE-JOCHJYFZSA-N 1 3 366.553 4.352 20 0 FIADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000479348629 1111995757 /nfs/dbraw/zinc/99/57/57/1111995757.db2.gz QYMHSSAOEJIVIE-JOCHJYFZSA-N 1 3 366.553 4.352 20 0 FIADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358119 1111998041 /nfs/dbraw/zinc/99/80/41/1111998041.db2.gz ITJOBOOUQXSMCA-SUMWQHHRSA-N 1 3 351.332 4.103 20 0 FIADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358119 1111998042 /nfs/dbraw/zinc/99/80/42/1111998042.db2.gz ITJOBOOUQXSMCA-SUMWQHHRSA-N 1 3 351.332 4.103 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000479358119 1111998045 /nfs/dbraw/zinc/99/80/45/1111998045.db2.gz ITJOBOOUQXSMCA-SUMWQHHRSA-N 1 3 351.332 4.103 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463031 1112033157 /nfs/dbraw/zinc/03/31/57/1112033157.db2.gz HUWVMKYEFSKFQQ-FPOVZHCZSA-N 1 3 366.505 4.021 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463031 1112033161 /nfs/dbraw/zinc/03/31/61/1112033161.db2.gz HUWVMKYEFSKFQQ-FPOVZHCZSA-N 1 3 366.505 4.021 20 0 FIADHO CC[N@H+](C)Cc1cccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000480025470 1112243745 /nfs/dbraw/zinc/24/37/45/1112243745.db2.gz LWCPUGSQLSMZHF-UHFFFAOYSA-N 1 3 368.521 4.383 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000480025470 1112243747 /nfs/dbraw/zinc/24/37/47/1112243747.db2.gz LWCPUGSQLSMZHF-UHFFFAOYSA-N 1 3 368.521 4.383 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000480630550 1112510089 /nfs/dbraw/zinc/51/00/89/1112510089.db2.gz JZGFTFADSQPVNL-HZPDHXFCSA-N 1 3 352.494 4.006 20 0 FIADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000480630550 1112510093 /nfs/dbraw/zinc/51/00/93/1112510093.db2.gz JZGFTFADSQPVNL-HZPDHXFCSA-N 1 3 352.494 4.006 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[NH+]2CCC(C)CC2)cc1OC ZINC000480641619 1112517589 /nfs/dbraw/zinc/51/75/89/1112517589.db2.gz QCGXXZTXPDWKOF-INIZCTEOSA-N 1 3 352.494 4.006 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(OCc3ccccc3F)c1)C2 ZINC000554878528 1112549031 /nfs/dbraw/zinc/54/90/31/1112549031.db2.gz WJPKDXJLRVLXAD-WCRBZPEASA-N 1 3 368.496 4.462 20 0 FIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(OCc3ccccc3F)c1)C2 ZINC000554878528 1112549039 /nfs/dbraw/zinc/54/90/39/1112549039.db2.gz WJPKDXJLRVLXAD-WCRBZPEASA-N 1 3 368.496 4.462 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000480745487 1112583957 /nfs/dbraw/zinc/58/39/57/1112583957.db2.gz OLIAEJIZOAIMMU-SSKCKEOISA-N 1 3 355.295 4.112 20 0 FIADHO C[C@@H]1C[C@H](N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[N@H+]1C ZINC000480745487 1112583961 /nfs/dbraw/zinc/58/39/61/1112583961.db2.gz OLIAEJIZOAIMMU-SSKCKEOISA-N 1 3 355.295 4.112 20 0 FIADHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000556051160 1113127240 /nfs/dbraw/zinc/12/72/40/1113127240.db2.gz QVJLCRJJLHPDDA-JOCHJYFZSA-N 1 3 366.505 4.310 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434945 1113253798 /nfs/dbraw/zinc/25/37/98/1113253798.db2.gz HGGDXCWGMARFSB-NZQKXSOJSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434945 1113253802 /nfs/dbraw/zinc/25/38/02/1113253802.db2.gz HGGDXCWGMARFSB-NZQKXSOJSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(OC)c1 ZINC000482434945 1113253808 /nfs/dbraw/zinc/25/38/08/1113253808.db2.gz HGGDXCWGMARFSB-NZQKXSOJSA-N 1 3 352.522 4.301 20 0 FIADHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482445206 1113258458 /nfs/dbraw/zinc/25/84/58/1113258458.db2.gz AQDWNMJARJFAAJ-PZJWPPBQSA-N 1 3 352.522 4.301 20 0 FIADHO c1ccc2c(c1)sc1c2CCC[C@@H]1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483219530 1113467199 /nfs/dbraw/zinc/46/71/99/1113467199.db2.gz UGCOASIGJKXVSF-UZLBHIALSA-N 1 3 370.562 4.369 20 0 FIADHO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486487858 1113579844 /nfs/dbraw/zinc/57/98/44/1113579844.db2.gz KNNYKMKWXKOREK-QFBILLFUSA-N 1 3 360.448 4.288 20 0 FIADHO C[C@H]1C[C@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000486717112 1113628469 /nfs/dbraw/zinc/62/84/69/1113628469.db2.gz MZQHMMYSCUNQFB-OXJNMPFZSA-N 1 3 351.469 4.450 20 0 FIADHO C[C@H]1C[C@H](NCc2cc3ccc(F)cc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000486717112 1113628471 /nfs/dbraw/zinc/62/84/71/1113628471.db2.gz MZQHMMYSCUNQFB-OXJNMPFZSA-N 1 3 351.469 4.450 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000488051320 1113847075 /nfs/dbraw/zinc/84/70/75/1113847075.db2.gz UDEROGPBDBPLCQ-NRSPTQNISA-N 1 3 374.956 4.099 20 0 FIADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490167619 1114228601 /nfs/dbraw/zinc/22/86/01/1114228601.db2.gz LKKJWONOYZQLAN-XUZZJYLKSA-N 1 3 365.565 4.008 20 0 FIADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490167617 1114228660 /nfs/dbraw/zinc/22/86/60/1114228660.db2.gz LKKJWONOYZQLAN-QPPBQGQZSA-N 1 3 365.565 4.008 20 0 FIADHO C[C@H](c1ccccc1Cl)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710760 1114601946 /nfs/dbraw/zinc/60/19/46/1114601946.db2.gz LARARRYYLMKYRW-IXDOHACOSA-N 1 3 350.934 4.222 20 0 FIADHO C[C@H](c1ccccc1Cl)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588710760 1114601949 /nfs/dbraw/zinc/60/19/49/1114601949.db2.gz LARARRYYLMKYRW-IXDOHACOSA-N 1 3 350.934 4.222 20 0 FIADHO Brc1ccc(/C=C/CCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606903169 1115981613 /nfs/dbraw/zinc/98/16/13/1115981613.db2.gz KXPMIGVTJNPVSV-OYLBFLIUSA-N 1 3 363.343 4.270 20 0 FIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc(-c2ccccc2)[nH]1 ZINC000509450343 1116198462 /nfs/dbraw/zinc/19/84/62/1116198462.db2.gz RHKOZHCCLREDBZ-QFIPXVFZSA-N 1 3 374.532 4.467 20 0 FIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc(-c2ccccc2)[nH]1 ZINC000509450343 1116198464 /nfs/dbraw/zinc/19/84/64/1116198464.db2.gz RHKOZHCCLREDBZ-QFIPXVFZSA-N 1 3 374.532 4.467 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000535509441 1116313728 /nfs/dbraw/zinc/31/37/28/1116313728.db2.gz SHXQKIBYBULFRR-ZBEGNZNMSA-N 1 3 357.723 4.021 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2nc3ccccc3nc2C)CC1)CC1CC1 ZINC000540049104 1117830221 /nfs/dbraw/zinc/83/02/21/1117830221.db2.gz DMQQMXYRACPBGP-UHFFFAOYSA-N 1 3 366.553 4.272 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2nc3ccccc3nc2C)CC1)CC1CC1 ZINC000540049104 1117830226 /nfs/dbraw/zinc/83/02/26/1117830226.db2.gz DMQQMXYRACPBGP-UHFFFAOYSA-N 1 3 366.553 4.272 20 0 FIADHO Clc1cccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463065911 1117949818 /nfs/dbraw/zinc/94/98/18/1117949818.db2.gz YCAQJBIHHHJPGE-UHFFFAOYSA-N 1 3 358.913 4.016 20 0 FIADHO C[C@H]1C[C@@H](NCc2cccc(-n3ccnc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130466 1117976567 /nfs/dbraw/zinc/97/65/67/1117976567.db2.gz WNWLUKXCYQRGBI-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO C[C@H]1C[C@@H](NCc2cccc(-n3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130466 1117976568 /nfs/dbraw/zinc/97/65/68/1117976568.db2.gz WNWLUKXCYQRGBI-UGKGYDQZSA-N 1 3 360.505 4.015 20 0 FIADHO COC(=O)c1oc([C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)cc1C ZINC000540337973 1117990448 /nfs/dbraw/zinc/99/04/48/1117990448.db2.gz IGAIDNJZUMBJGL-QGZVFWFLSA-N 1 3 362.514 4.024 20 0 FIADHO CC(C)(C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)CN1CCCC1 ZINC000463252682 1118062458 /nfs/dbraw/zinc/06/24/58/1118062458.db2.gz SDQWEZHRVJNBCA-UHFFFAOYSA-N 1 3 363.977 4.016 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1O2 ZINC000540491578 1118090580 /nfs/dbraw/zinc/09/05/80/1118090580.db2.gz FBPASDMLHHWQHO-FCEUIQTBSA-N 1 3 362.517 4.195 20 0 FIADHO C[NH+](C)CCOc1ccc(CCN[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000541544597 1118549942 /nfs/dbraw/zinc/54/99/42/1118549942.db2.gz WXSMVSSPHKZGRP-HSZRJFAPSA-N 1 3 364.489 4.142 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC(=O)Nc2ccccc21 ZINC000541552110 1118559824 /nfs/dbraw/zinc/55/98/24/1118559824.db2.gz MEFBNLIECDVDJG-HXUWFJFHSA-N 1 3 351.494 4.090 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC(=O)Nc2ccccc21 ZINC000541552110 1118559826 /nfs/dbraw/zinc/55/98/26/1118559826.db2.gz MEFBNLIECDVDJG-HXUWFJFHSA-N 1 3 351.494 4.090 20 0 FIADHO C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464844521 1118719475 /nfs/dbraw/zinc/71/94/75/1118719475.db2.gz AZQGXECMIOJUDS-IBGZPJMESA-N 1 3 358.913 4.173 20 0 FIADHO C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464844521 1118719477 /nfs/dbraw/zinc/71/94/77/1118719477.db2.gz AZQGXECMIOJUDS-IBGZPJMESA-N 1 3 358.913 4.173 20 0 FIADHO CC(C)N1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000542145769 1118807227 /nfs/dbraw/zinc/80/72/27/1118807227.db2.gz DXLQTOSQYTYWCG-NRFANRHFSA-N 1 3 357.929 4.481 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178012358 1119364973 /nfs/dbraw/zinc/36/49/73/1119364973.db2.gz OZBWDWNTKLUOQQ-GKVSMKOHSA-N 1 3 358.551 4.115 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178012358 1119364976 /nfs/dbraw/zinc/36/49/76/1119364976.db2.gz OZBWDWNTKLUOQQ-GKVSMKOHSA-N 1 3 358.551 4.115 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000311771338 1119388935 /nfs/dbraw/zinc/38/89/35/1119388935.db2.gz GOFACDYYTCHQQF-KPDCDPCYSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000311771338 1119388938 /nfs/dbraw/zinc/38/89/38/1119388938.db2.gz GOFACDYYTCHQQF-KPDCDPCYSA-N 1 3 350.506 4.183 20 0 FIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892245 1119393341 /nfs/dbraw/zinc/39/33/41/1119393341.db2.gz YPKVVOBZLJVWSK-YADHBBJMSA-N 1 3 356.554 4.228 20 0 FIADHO COCc1cccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000312048550 1119397653 /nfs/dbraw/zinc/39/76/53/1119397653.db2.gz AVZHJKGLYPITOH-QHCPKHFHSA-N 1 3 352.522 4.225 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183196461 1119568484 /nfs/dbraw/zinc/56/84/84/1119568484.db2.gz NHPKBHIHABRBKT-WAOWUJCRSA-N 1 3 366.553 4.484 20 0 FIADHO Cc1nccn1-c1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183196461 1119568486 /nfs/dbraw/zinc/56/84/86/1119568486.db2.gz NHPKBHIHABRBKT-WAOWUJCRSA-N 1 3 366.553 4.484 20 0 FIADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727617 1120078296 /nfs/dbraw/zinc/07/82/96/1120078296.db2.gz JZJUYAZFAHHKKK-GOTSBHOMSA-N 1 3 357.586 4.061 20 0 FIADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727617 1120078301 /nfs/dbraw/zinc/07/83/01/1120078301.db2.gz JZJUYAZFAHHKKK-GOTSBHOMSA-N 1 3 357.586 4.061 20 0 FIADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495105411 1120477202 /nfs/dbraw/zinc/47/72/02/1120477202.db2.gz BRMCMPBXMWGHLH-UWJYYQICSA-N 1 3 368.569 4.255 20 0 FIADHO c1ccc(C[C@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc2)cc1 ZINC000495485878 1120855110 /nfs/dbraw/zinc/85/51/10/1120855110.db2.gz YOUSSUKBOCDDCX-QHCPKHFHSA-N 1 3 364.533 4.205 20 0 FIADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)CC1 ZINC000624288950 1121017631 /nfs/dbraw/zinc/01/76/31/1121017631.db2.gz BCFCLEGETKMXOC-UHFFFAOYSA-N 1 3 351.897 4.355 20 0 FIADHO CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OCC ZINC000075780802 1121315895 /nfs/dbraw/zinc/31/58/95/1121315895.db2.gz HSHAGZJUTVRKIH-HNNXBMFYSA-N 1 3 366.933 4.101 20 0 FIADHO COc1ccc([C@@H]2C[C@H](N[C@H](CC[NH+](C)C)c3ccccc3)CCO2)cc1 ZINC001168585269 1121518279 /nfs/dbraw/zinc/51/82/79/1121518279.db2.gz GYWROEFWBTWCPT-MZYLBHOOSA-N 1 3 368.521 4.198 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1 ZINC000037643994 1121586703 /nfs/dbraw/zinc/58/67/03/1121586703.db2.gz QCVZUJFOSXVWKG-STQMWFEESA-N 1 3 351.288 4.188 20 0 FIADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1 ZINC001649096261 1121758745 /nfs/dbraw/zinc/75/87/45/1121758745.db2.gz PROXPIDYEYZUKE-UHFFFAOYSA-N 1 3 366.427 4.384 20 0 FIADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1 ZINC000072840154 1121905715 /nfs/dbraw/zinc/90/57/15/1121905715.db2.gz NNLVPIJZFHWIKV-UHFFFAOYSA-N 1 3 353.510 4.151 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837097 1122015731 /nfs/dbraw/zinc/01/57/31/1122015731.db2.gz CRFSNDLUTXDSDK-SJORKVTESA-N 1 3 372.534 4.082 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126837097 1122015738 /nfs/dbraw/zinc/01/57/38/1122015738.db2.gz CRFSNDLUTXDSDK-SJORKVTESA-N 1 3 372.534 4.082 20 0 FIADHO COc1ccc([C@@H]2C[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCO2)cc1 ZINC001168616008 1122099707 /nfs/dbraw/zinc/09/97/07/1122099707.db2.gz QEERKWQTBIGAJH-GGAORHGYSA-N 1 3 372.553 4.160 20 0 FIADHO Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091287537 1122140250 /nfs/dbraw/zinc/14/02/50/1122140250.db2.gz SBEQFKZKWVJXSA-SFHVURJKSA-N 1 3 362.521 4.197 20 0 FIADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497867178 1122453108 /nfs/dbraw/zinc/45/31/08/1122453108.db2.gz INCDKBFVPDUZLO-UWJYYQICSA-N 1 3 357.542 4.136 20 0 FIADHO Cn1ncc2c1CCC[C@H]2NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000129872211 1122706353 /nfs/dbraw/zinc/70/63/53/1122706353.db2.gz FEDBLYWWWRSYLK-JOCHJYFZSA-N 1 3 366.553 4.352 20 0 FIADHO Cn1ncc2c1CCC[C@H]2NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000129872211 1122706357 /nfs/dbraw/zinc/70/63/57/1122706357.db2.gz FEDBLYWWWRSYLK-JOCHJYFZSA-N 1 3 366.553 4.352 20 0 FIADHO C[NH2+]C1CCC(N(C)Cc2ccc(Br)c(Cl)c2F)CC1 ZINC001236214242 1123063194 /nfs/dbraw/zinc/06/31/94/1123063194.db2.gz ABMITSFHTHAMGB-UHFFFAOYSA-N 1 3 363.702 4.204 20 0 FIADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556871812 1123152911 /nfs/dbraw/zinc/15/29/11/1123152911.db2.gz MXXHRQKNRHDLBI-XBYSBRQOSA-N 1 3 358.570 4.066 20 0 FIADHO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc2n[nH]cc2c1 ZINC000556923533 1123233078 /nfs/dbraw/zinc/23/30/78/1123233078.db2.gz KWIJFDYDYRLPFL-RAQQXGOJSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc2n[nH]cc2c1 ZINC000556923533 1123233081 /nfs/dbraw/zinc/23/30/81/1123233081.db2.gz KWIJFDYDYRLPFL-RAQQXGOJSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc2n[nH]cc2c1 ZINC000556923533 1123233084 /nfs/dbraw/zinc/23/30/84/1123233084.db2.gz KWIJFDYDYRLPFL-RAQQXGOJSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232165 1123340711 /nfs/dbraw/zinc/34/07/11/1123340711.db2.gz GOWJZYVXIDNGMG-UVUJQTEASA-N 1 3 350.506 4.239 20 0 FIADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Oc1ccccc1 ZINC000499232165 1123340713 /nfs/dbraw/zinc/34/07/13/1123340713.db2.gz GOWJZYVXIDNGMG-UVUJQTEASA-N 1 3 350.506 4.239 20 0 FIADHO CCn1cc([C@@H](C)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000133396925 1123483668 /nfs/dbraw/zinc/48/36/68/1123483668.db2.gz VYHWLPBCVVOETB-GOSISDBHSA-N 1 3 362.521 4.482 20 0 FIADHO CCCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OCC ZINC000236729627 1123556988 /nfs/dbraw/zinc/55/69/88/1123556988.db2.gz RCQBEYFYEJVTOD-IHWFROFDSA-N 1 3 360.542 4.369 20 0 FIADHO Clc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134209038 1123605748 /nfs/dbraw/zinc/60/57/48/1123605748.db2.gz SPMHISRTKSEKFG-UHFFFAOYSA-N 1 3 358.917 4.038 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000064615966 1123870380 /nfs/dbraw/zinc/87/03/80/1123870380.db2.gz XQXNFPNNYYMXSK-INIZCTEOSA-N 1 3 370.522 4.041 20 0 FIADHO Cc1ccc(-c2n[nH]cc2CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000064615966 1123870388 /nfs/dbraw/zinc/87/03/88/1123870388.db2.gz XQXNFPNNYYMXSK-INIZCTEOSA-N 1 3 370.522 4.041 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245806868 1124255378 /nfs/dbraw/zinc/25/53/78/1124255378.db2.gz YQJCZQLHKSMIGJ-LIRRHRJNSA-N 1 3 360.933 4.057 20 0 FIADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245806868 1124255383 /nfs/dbraw/zinc/25/53/83/1124255383.db2.gz YQJCZQLHKSMIGJ-LIRRHRJNSA-N 1 3 360.933 4.057 20 0 FIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000246378847 1124477481 /nfs/dbraw/zinc/47/74/81/1124477481.db2.gz JXFBYJMUEAABCV-PWIZWCRZSA-N 1 3 356.510 4.160 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000246584098 1124536520 /nfs/dbraw/zinc/53/65/20/1124536520.db2.gz YWNAJUNHVYGPBI-MJXNMMHHSA-N 1 3 371.352 4.412 20 0 FIADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248396052 1124760545 /nfs/dbraw/zinc/76/05/45/1124760545.db2.gz GSSAIRGZWAVIIX-ZINXYGQCSA-N 1 3 367.537 4.285 20 0 FIADHO COc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000090468911 1124998290 /nfs/dbraw/zinc/99/82/90/1124998290.db2.gz CQEHBIRJOBDSQQ-OAHLLOKOSA-N 1 3 362.901 4.140 20 0 FIADHO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccs1 ZINC000090523565 1125001800 /nfs/dbraw/zinc/00/18/00/1125001800.db2.gz VXFZUAIGDOGFTA-FHWLQOOXSA-N 1 3 350.572 4.193 20 0 FIADHO CC(C)N(C/C=C\C[N@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000618613217 1125215173 /nfs/dbraw/zinc/21/51/73/1125215173.db2.gz VSVQKLWYVHEUTJ-KTKRTIGZSA-N 1 3 352.526 4.154 20 0 FIADHO CC(C)N(C/C=C\C[N@@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000618613217 1125215179 /nfs/dbraw/zinc/21/51/79/1125215179.db2.gz VSVQKLWYVHEUTJ-KTKRTIGZSA-N 1 3 352.526 4.154 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccccc2)c1 ZINC000093065965 1125264172 /nfs/dbraw/zinc/26/41/72/1125264172.db2.gz AYKMXNILZKQBGO-UHFFFAOYSA-N 1 3 362.521 4.217 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccccc2)c1 ZINC000093065965 1125264179 /nfs/dbraw/zinc/26/41/79/1125264179.db2.gz AYKMXNILZKQBGO-UHFFFAOYSA-N 1 3 362.521 4.217 20 0 FIADHO COc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318299 1125298867 /nfs/dbraw/zinc/29/88/67/1125298867.db2.gz ASSNEMDAKDGZPZ-RXVVDRJESA-N 1 3 368.521 4.189 20 0 FIADHO COc1cccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1OC ZINC000093318299 1125298872 /nfs/dbraw/zinc/29/88/72/1125298872.db2.gz ASSNEMDAKDGZPZ-RXVVDRJESA-N 1 3 368.521 4.189 20 0 FIADHO C[C@H](CCN(C)C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000065981530 1125441443 /nfs/dbraw/zinc/44/14/43/1125441443.db2.gz DJOCXISKFXFDSX-OAHLLOKOSA-N 1 3 359.901 4.022 20 0 FIADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2cc(Br)cc3Cl)cc1 ZINC000563154074 568305132 /nfs/dbraw/zinc/30/51/32/568305132.db2.gz JEMDBOWZQMQTHV-QGZVFWFLSA-N 1 3 365.702 4.338 20 0 FIADHO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644122 1125470074 /nfs/dbraw/zinc/47/00/74/1125470074.db2.gz HWXPMZNUASFROC-PXNSSMCTSA-N 1 3 368.521 4.285 20 0 FIADHO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000093644122 1125470076 /nfs/dbraw/zinc/47/00/76/1125470076.db2.gz HWXPMZNUASFROC-PXNSSMCTSA-N 1 3 368.521 4.285 20 0 FIADHO Brc1ccccc1C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547238 1079678010 /nfs/dbraw/zinc/67/80/10/1079678010.db2.gz BSOHHACQNCDQIP-AEFFLSMTSA-N 1 3 363.343 4.035 20 0 FIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000154143348 1080004067 /nfs/dbraw/zinc/00/40/67/1080004067.db2.gz VNUZVJYIYFNABT-WZONZLPQSA-N 1 3 364.533 4.290 20 0 FIADHO Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000154143348 1080004075 /nfs/dbraw/zinc/00/40/75/1080004075.db2.gz VNUZVJYIYFNABT-WZONZLPQSA-N 1 3 364.533 4.290 20 0 FIADHO Cn1cccc1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321218 1080806633 /nfs/dbraw/zinc/80/66/33/1080806633.db2.gz JTSHCPRVKMSUGD-VQIMIIECSA-N 1 3 365.443 4.217 20 0 FIADHO Cn1cccc1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000119321218 1080806637 /nfs/dbraw/zinc/80/66/37/1080806637.db2.gz JTSHCPRVKMSUGD-VQIMIIECSA-N 1 3 365.443 4.217 20 0 FIADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000398165710 1080816068 /nfs/dbraw/zinc/81/60/68/1080816068.db2.gz TUZWWDZQUMCFOE-RHSMWYFYSA-N 1 3 363.299 4.042 20 0 FIADHO Cc1cc(C)c(NC(=O)CCCN(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000137691413 1081275398 /nfs/dbraw/zinc/27/53/98/1081275398.db2.gz XQZCUJGUNHQPLJ-FQEVSTJZSA-N 1 3 359.558 4.137 20 0 FIADHO Cc1cc(C)c(NC(=O)CCCN(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000137691413 1081275405 /nfs/dbraw/zinc/27/54/05/1081275405.db2.gz XQZCUJGUNHQPLJ-FQEVSTJZSA-N 1 3 359.558 4.137 20 0 FIADHO C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000382353577 1081877984 /nfs/dbraw/zinc/87/79/84/1081877984.db2.gz KIBRCJUFMSCEBM-UTKZUKDTSA-N 1 3 353.466 4.158 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000656683739 1082717597 /nfs/dbraw/zinc/71/75/97/1082717597.db2.gz QALVRJAJGAGPNE-INIZCTEOSA-N 1 3 373.928 4.306 20 0 FIADHO Fc1ccc2c(c1)[C@@H](NCc1ccc(OCC[NH+]3CCCC3)cc1)CCC2 ZINC000684420958 1082895884 /nfs/dbraw/zinc/89/58/84/1082895884.db2.gz YWLPIWZHSHTHBU-QHCPKHFHSA-N 1 3 368.496 4.468 20 0 FIADHO CC[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884023 1082970733 /nfs/dbraw/zinc/97/07/33/1082970733.db2.gz ODGLYAAIEWYUPT-LEWJYISDSA-N 1 3 366.553 4.275 20 0 FIADHO CC[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1c(C)nn(C)c1C ZINC000581884023 1082970734 /nfs/dbraw/zinc/97/07/34/1082970734.db2.gz ODGLYAAIEWYUPT-LEWJYISDSA-N 1 3 366.553 4.275 20 0 FIADHO COc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Br ZINC000131798712 1083136874 /nfs/dbraw/zinc/13/68/74/1083136874.db2.gz ZAKRPZLZBIZNFW-WWTUQBGBSA-N 1 3 367.331 4.124 20 0 FIADHO COc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000131798712 1083136878 /nfs/dbraw/zinc/13/68/78/1083136878.db2.gz ZAKRPZLZBIZNFW-WWTUQBGBSA-N 1 3 367.331 4.124 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2c(s1)CCCC2 ZINC000537970690 1084381385 /nfs/dbraw/zinc/38/13/85/1084381385.db2.gz HLFLKRPZLLCJRY-IXDOHACOSA-N 1 3 350.572 4.167 20 0 FIADHO COCc1csc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000657310865 1084408021 /nfs/dbraw/zinc/40/80/21/1084408021.db2.gz QLTRATKLFJINSA-KRWDZBQOSA-N 1 3 358.551 4.416 20 0 FIADHO COCc1csc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000657310865 1084408026 /nfs/dbraw/zinc/40/80/26/1084408026.db2.gz QLTRATKLFJINSA-KRWDZBQOSA-N 1 3 358.551 4.416 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000072085637 1084655037 /nfs/dbraw/zinc/65/50/37/1084655037.db2.gz BCVFGDZCVQNRNK-RTBURBONSA-N 1 3 352.522 4.161 20 0 FIADHO Cc1ccc2cc(CNCc3ccc(OCCC[NH+](C)C)cc3)[nH]c2c1 ZINC000657351324 1084685193 /nfs/dbraw/zinc/68/51/93/1084685193.db2.gz CJGDQOYOHLQKES-UHFFFAOYSA-N 1 3 351.494 4.097 20 0 FIADHO COCc1csc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373943 1084794928 /nfs/dbraw/zinc/79/49/28/1084794928.db2.gz AZDUGIDHGSKEMT-QAPCUYQASA-N 1 3 350.553 4.129 20 0 FIADHO COCc1csc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000657373943 1084794936 /nfs/dbraw/zinc/79/49/36/1084794936.db2.gz AZDUGIDHGSKEMT-QAPCUYQASA-N 1 3 350.553 4.129 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000613491607 1084825261 /nfs/dbraw/zinc/82/52/61/1084825261.db2.gz YRKVEWBPADRZDX-UHFFFAOYSA-N 1 3 371.525 4.294 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000613491607 1084825265 /nfs/dbraw/zinc/82/52/65/1084825265.db2.gz YRKVEWBPADRZDX-UHFFFAOYSA-N 1 3 371.525 4.294 20 0 FIADHO Cc1ccc(CNCc2ccnn2-c2cc[nH+]cc2)c(OC(C)(C)C)c1 ZINC000657390042 1084856042 /nfs/dbraw/zinc/85/60/42/1084856042.db2.gz ROCXBVJITQBFNA-UHFFFAOYSA-N 1 3 350.466 4.043 20 0 FIADHO CCC1(CNCc2nccn2C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000657415172 1084950616 /nfs/dbraw/zinc/95/06/16/1084950616.db2.gz ARXHPJGAOCWAKG-UHFFFAOYSA-N 1 3 354.542 4.246 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651720625 1085412650 /nfs/dbraw/zinc/41/26/50/1085412650.db2.gz GKRSYZYIHYXSFU-ZCNNSNEGSA-N 1 3 367.537 4.289 20 0 FIADHO c1cc(-c2ccccc2)oc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611680 1085689829 /nfs/dbraw/zinc/68/98/29/1085689829.db2.gz CIRYGPNTXRUSFD-UHFFFAOYSA-N 1 3 361.489 4.343 20 0 FIADHO CC(C)COc1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613641 1085698081 /nfs/dbraw/zinc/69/80/81/1085698081.db2.gz OVNSATBRDAANAL-UHFFFAOYSA-N 1 3 367.537 4.118 20 0 FIADHO c1ccc(-c2cccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c2)nc1 ZINC000657613704 1085699390 /nfs/dbraw/zinc/69/93/90/1085699390.db2.gz PMYRWGASITXCDJ-UHFFFAOYSA-N 1 3 372.516 4.145 20 0 FIADHO Clc1cccc2c1C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000657613758 1085699521 /nfs/dbraw/zinc/69/95/21/1085699521.db2.gz QXYMURGGOSPTDM-HXUWFJFHSA-N 1 3 369.940 4.094 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccccc1Cl ZINC000582927143 1085929829 /nfs/dbraw/zinc/92/98/29/1085929829.db2.gz STEYOLCBUXAFST-LNKGRISISA-N 1 3 351.966 4.041 20 0 FIADHO Clc1cccc(-c2cnc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)o2)c1 ZINC000662295141 1086398317 /nfs/dbraw/zinc/39/83/17/1086398317.db2.gz TWTWWPBVFAGCIL-KRWDZBQOSA-N 1 3 359.901 4.207 20 0 FIADHO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295711 1086398457 /nfs/dbraw/zinc/39/84/57/1086398457.db2.gz HYEVVSGHLTXEBF-PBHICJAKSA-N 1 3 374.916 4.163 20 0 FIADHO CC(C)c1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000663323974 1086413235 /nfs/dbraw/zinc/41/32/35/1086413235.db2.gz LNHUPCRNVBFHPX-HSZRJFAPSA-N 1 3 352.522 4.057 20 0 FIADHO CC(C)c1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000663323974 1086413249 /nfs/dbraw/zinc/41/32/49/1086413249.db2.gz LNHUPCRNVBFHPX-HSZRJFAPSA-N 1 3 352.522 4.057 20 0 FIADHO CCc1ccccc1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150974383 1086666173 /nfs/dbraw/zinc/66/61/73/1086666173.db2.gz ZBMTZWWWONIITO-UHFFFAOYSA-N 1 3 351.538 4.069 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000583456812 1086701176 /nfs/dbraw/zinc/70/11/76/1086701176.db2.gz ZWMQYRXFGQDGHF-JTKSJCOOSA-N 1 3 368.565 4.224 20 0 FIADHO COc1ccccc1[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432407068 1086728877 /nfs/dbraw/zinc/72/88/77/1086728877.db2.gz JYTXBMDEGLXHNT-XMSQKQJNSA-N 1 3 360.542 4.017 20 0 FIADHO COc1ccccc1[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432407068 1086728883 /nfs/dbraw/zinc/72/88/83/1086728883.db2.gz JYTXBMDEGLXHNT-XMSQKQJNSA-N 1 3 360.542 4.017 20 0 FIADHO C[C@@H]1C[N@H+](CCCN[C@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427657 1086757576 /nfs/dbraw/zinc/75/75/76/1086757576.db2.gz DEAAFLUMQFXEHA-AUSIDOKSSA-N 1 3 370.512 4.200 20 0 FIADHO C[C@@H]1C[N@@H+](CCCN[C@H](Cc2ccccc2F)c2ccccc2)CCCO1 ZINC000432427657 1086757580 /nfs/dbraw/zinc/75/75/80/1086757580.db2.gz DEAAFLUMQFXEHA-AUSIDOKSSA-N 1 3 370.512 4.200 20 0 FIADHO CCN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000583899441 1087020507 /nfs/dbraw/zinc/02/05/07/1087020507.db2.gz PGJFIXPMXUZYFF-UHFFFAOYSA-N 1 3 366.484 4.300 20 0 FIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000584378422 1087313447 /nfs/dbraw/zinc/31/34/47/1087313447.db2.gz JKEMZOMKHQTEEX-IFMALSPDSA-N 1 3 350.506 4.278 20 0 FIADHO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000584378422 1087313455 /nfs/dbraw/zinc/31/34/55/1087313455.db2.gz JKEMZOMKHQTEEX-IFMALSPDSA-N 1 3 350.506 4.278 20 0 FIADHO COC[C@@H](CC1CCOCC1)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000657886013 1087535341 /nfs/dbraw/zinc/53/53/41/1087535341.db2.gz CFTOOSFGWPKVKB-DENIHFKCSA-N 1 3 374.569 4.071 20 0 FIADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164298 1087759111 /nfs/dbraw/zinc/75/91/11/1087759111.db2.gz CLUAWTAFKKJETP-PKTZIBPZSA-N 1 3 363.549 4.466 20 0 FIADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000658165808 1087759812 /nfs/dbraw/zinc/75/98/12/1087759812.db2.gz LYUZOHFMQLQFAR-HSZRJFAPSA-N 1 3 367.537 4.433 20 0 FIADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165104 1087760145 /nfs/dbraw/zinc/76/01/45/1087760145.db2.gz PNVJPAQLFVEDPD-QGZVFWFLSA-N 1 3 373.491 4.183 20 0 FIADHO Cc1ccc(C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658167860 1087765157 /nfs/dbraw/zinc/76/51/57/1087765157.db2.gz UNPPZUQXAXBYEJ-DEOSSOPVSA-N 1 3 363.549 4.213 20 0 FIADHO CCCN1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189436 1087779596 /nfs/dbraw/zinc/77/95/96/1087779596.db2.gz SVRPMTTZALDGQQ-KRWDZBQOSA-N 1 3 369.372 4.201 20 0 FIADHO C[C@@H]1CC2(CN1Cc1nc(-c3c(F)cccc3F)cs1)CC[NH2+]CC2 ZINC000424296631 1087902113 /nfs/dbraw/zinc/90/21/13/1087902113.db2.gz SCSUQQWVJLXXII-CYBMUJFWSA-N 1 3 363.477 4.052 20 0 FIADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OCCC(C)C ZINC000414811241 1088209488 /nfs/dbraw/zinc/20/94/88/1088209488.db2.gz PKMYILZNDNAMKZ-QGZVFWFLSA-N 1 3 356.510 4.430 20 0 FIADHO CCCOc1c(Cl)cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414813586 1088215113 /nfs/dbraw/zinc/21/51/13/1088215113.db2.gz UAVKVYWTBXLPMY-CQSZACIVSA-N 1 3 362.901 4.447 20 0 FIADHO Clc1ccc(Cl)c(-c2csc(CNCC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000414824159 1088310047 /nfs/dbraw/zinc/31/00/47/1088310047.db2.gz AIOMCUHPLDPLTI-NSHDSACASA-N 1 3 356.322 4.206 20 0 FIADHO COc1ccccc1-c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059373 1089094512 /nfs/dbraw/zinc/09/45/12/1089094512.db2.gz WTXIQLRFNYGQDB-UNMCSNQZSA-N 1 3 350.506 4.326 20 0 FIADHO c1ccc(-c2ccccc2OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000415079098 1089135153 /nfs/dbraw/zinc/13/51/53/1089135153.db2.gz HFUKDONYDNWVRZ-YPAWHYETSA-N 1 3 350.506 4.243 20 0 FIADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001625891373 1089758454 /nfs/dbraw/zinc/75/84/54/1089758454.db2.gz HGGKQQIHKCNGEN-WIYYLYMNSA-N 1 3 357.542 4.120 20 0 FIADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001625891373 1089758466 /nfs/dbraw/zinc/75/84/66/1089758466.db2.gz HGGKQQIHKCNGEN-WIYYLYMNSA-N 1 3 357.542 4.120 20 0 FIADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659867881 1089839867 /nfs/dbraw/zinc/83/98/67/1089839867.db2.gz XUFVGLHTZIGOPH-GBEXAXCTSA-N 1 3 369.597 4.061 20 0 FIADHO Clc1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000388315466 1090985116 /nfs/dbraw/zinc/98/51/16/1090985116.db2.gz KTHFLOKFQRVZBV-SFHVURJKSA-N 1 3 365.908 4.500 20 0 FIADHO Clc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ncccc12 ZINC000388315466 1090985118 /nfs/dbraw/zinc/98/51/18/1090985118.db2.gz KTHFLOKFQRVZBV-SFHVURJKSA-N 1 3 365.908 4.500 20 0 FIADHO Cc1ccccc1C1CC([N@H+](CCCN2CCN(C(C)C)CC2)C2CC2)C1 ZINC000500095036 1091034294 /nfs/dbraw/zinc/03/42/94/1091034294.db2.gz XJBVAKVOBVSTLS-UHFFFAOYSA-N 1 3 369.597 4.122 20 0 FIADHO Cc1ccccc1C1CC([N@@H+](CCCN2CCN(C(C)C)CC2)C2CC2)C1 ZINC000500095036 1091034303 /nfs/dbraw/zinc/03/43/03/1091034303.db2.gz XJBVAKVOBVSTLS-UHFFFAOYSA-N 1 3 369.597 4.122 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098524 1091036269 /nfs/dbraw/zinc/03/62/69/1091036269.db2.gz MPKREJSHPISINB-RTBURBONSA-N 1 3 365.993 4.180 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000500098524 1091036274 /nfs/dbraw/zinc/03/62/74/1091036274.db2.gz MPKREJSHPISINB-RTBURBONSA-N 1 3 365.993 4.180 20 0 FIADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390525823 1091182279 /nfs/dbraw/zinc/18/22/79/1091182279.db2.gz IYXDJGQIIOCBCY-QPPBQGQZSA-N 1 3 365.565 4.009 20 0 FIADHO CCc1cc(OC)ccc1CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000500407567 1091451439 /nfs/dbraw/zinc/45/14/39/1091451439.db2.gz XPYAMMQEGAQLOP-UHFFFAOYSA-N 1 3 370.459 4.153 20 0 FIADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000512286056 1092009419 /nfs/dbraw/zinc/00/94/19/1092009419.db2.gz ADOCEWMLFDBZRI-MRKXFKPJSA-N 1 3 370.581 4.470 20 0 FIADHO c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291898 1092014438 /nfs/dbraw/zinc/01/44/38/1092014438.db2.gz DQDXSTPPZKAXGQ-XMMPIXPASA-N 1 3 357.501 4.333 20 0 FIADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc5ccccc5n4)C3)C2)cc1 ZINC000512291898 1092014447 /nfs/dbraw/zinc/01/44/47/1092014447.db2.gz DQDXSTPPZKAXGQ-XMMPIXPASA-N 1 3 357.501 4.333 20 0 FIADHO C[C@H]1CC([NH+]2C(C)(C)CC(N)CC2(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168012463 1092339027 /nfs/dbraw/zinc/33/90/27/1092339027.db2.gz ANVXJIAWGSJMRN-ROUUACIJSA-N 1 3 357.586 4.408 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000665271636 1092420929 /nfs/dbraw/zinc/42/09/29/1092420929.db2.gz PMMPUFPVFVSJGG-QVGHQYEOSA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000665271636 1092420934 /nfs/dbraw/zinc/42/09/34/1092420934.db2.gz PMMPUFPVFVSJGG-QVGHQYEOSA-N 1 3 361.533 4.146 20 0 FIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000665271636 1092420938 /nfs/dbraw/zinc/42/09/38/1092420938.db2.gz PMMPUFPVFVSJGG-QVGHQYEOSA-N 1 3 361.533 4.146 20 0 FIADHO COCCC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865499 1092812024 /nfs/dbraw/zinc/81/20/24/1092812024.db2.gz UCMCIGGDJAAAAT-OFNKIYASSA-N 1 3 370.512 4.405 20 0 FIADHO COCCC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442865499 1092812037 /nfs/dbraw/zinc/81/20/37/1092812037.db2.gz UCMCIGGDJAAAAT-OFNKIYASSA-N 1 3 370.512 4.405 20 0 FIADHO O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512653314 1093080290 /nfs/dbraw/zinc/08/02/90/1093080290.db2.gz DOQNHDSYJJHESN-KEJFTWOCSA-N 1 3 370.581 4.208 20 0 FIADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168020206 1093201438 /nfs/dbraw/zinc/20/14/38/1093201438.db2.gz LJSFXNJUKPNKCN-ACRUOGEOSA-N 1 3 357.586 4.138 20 0 FIADHO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168020213 1093203163 /nfs/dbraw/zinc/20/31/63/1093203163.db2.gz LJSFXNJUKPNKCN-QXUYBEEESA-N 1 3 357.586 4.138 20 0 FIADHO CCc1noc(C)c1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118662 1093268606 /nfs/dbraw/zinc/26/86/06/1093268606.db2.gz YDHZYDVCCQNCKX-UHFFFAOYSA-N 1 3 353.510 4.034 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C[C@H](C)N1Cc1ccccc1 ZINC001168022653 1093313987 /nfs/dbraw/zinc/31/39/87/1093313987.db2.gz AVOOOVGUTFYMBP-VXZSXMOLSA-N 1 3 355.570 4.033 20 0 FIADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000389082514 1093347376 /nfs/dbraw/zinc/34/73/76/1093347376.db2.gz DMSRXISUTXJOCV-SIKLNZKXSA-N 1 3 352.522 4.215 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccccc3[C@@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023863 1093368060 /nfs/dbraw/zinc/36/80/60/1093368060.db2.gz YLNJTDWMRZWJHR-NHJQUPGMSA-N 1 3 364.533 4.066 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccccc3[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023863 1093368070 /nfs/dbraw/zinc/36/80/70/1093368070.db2.gz YLNJTDWMRZWJHR-NHJQUPGMSA-N 1 3 364.533 4.066 20 0 FIADHO Fc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1C(F)F ZINC000895346545 1093405604 /nfs/dbraw/zinc/40/56/04/1093405604.db2.gz IIWKULIQLAUQQJ-UHFFFAOYSA-N 1 3 363.427 4.160 20 0 FIADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000433316168 1093570554 /nfs/dbraw/zinc/57/05/54/1093570554.db2.gz FAGLXOOWWROGSF-UHFFFAOYSA-N 1 3 365.521 4.029 20 0 FIADHO C[C@@H]1CC(NCC2(c3ccc(F)cn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032148 1093656183 /nfs/dbraw/zinc/65/61/83/1093656183.db2.gz FOUIWGDMTPTRGO-QZTJIDSGSA-N 1 3 367.512 4.284 20 0 FIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000513019862 1093665283 /nfs/dbraw/zinc/66/52/83/1093665283.db2.gz INYIQCBNHFAVCB-IOSWFWLXSA-N 1 3 350.934 4.222 20 0 FIADHO Cc1cc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc(C)c1OCc1ccccn1 ZINC000237051458 1093765837 /nfs/dbraw/zinc/76/58/37/1093765837.db2.gz DVYQCSDJTPJQBM-UNMCSNQZSA-N 1 3 367.537 4.240 20 0 FIADHO N[C@@H](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000178818022 1093770710 /nfs/dbraw/zinc/77/07/10/1093770710.db2.gz RRQRSLSIDVNWGD-NRFANRHFSA-N 1 3 351.494 4.091 20 0 FIADHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1 ZINC000509908770 1093888426 /nfs/dbraw/zinc/88/84/26/1093888426.db2.gz GRTHKCBXFLUMJE-UHFFFAOYSA-N 1 3 367.537 4.127 20 0 FIADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cc1 ZINC000509908770 1093888430 /nfs/dbraw/zinc/88/84/30/1093888430.db2.gz GRTHKCBXFLUMJE-UHFFFAOYSA-N 1 3 367.537 4.127 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000500979019 1093985648 /nfs/dbraw/zinc/98/56/48/1093985648.db2.gz ABZUHIQZIXQILX-QFIPXVFZSA-N 1 3 361.549 4.063 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474596997 1094376150 /nfs/dbraw/zinc/37/61/50/1094376150.db2.gz IHBMSHGEOMAMJQ-XMTFNYHQSA-N 1 3 352.950 4.311 20 0 FIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1OC ZINC000474607384 1094411442 /nfs/dbraw/zinc/41/14/42/1094411442.db2.gz YDZGHTWFPBOVDX-QZTJIDSGSA-N 1 3 374.569 4.440 20 0 FIADHO CN(Cc1ccccc1Br)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044179 1094451118 /nfs/dbraw/zinc/45/11/18/1094451118.db2.gz HUBFMWOHIHVBKM-UHFFFAOYSA-N 1 3 374.326 4.193 20 0 FIADHO CC[C@H](C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501055089 1094466885 /nfs/dbraw/zinc/46/68/85/1094466885.db2.gz PZWPCXBCPGFBBL-GHTZIAJQSA-N 1 3 365.993 4.433 20 0 FIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)C2)cc1 ZINC000501390334 1094674760 /nfs/dbraw/zinc/67/47/60/1094674760.db2.gz VRJYTFNWOFCKMZ-AOHZBQACSA-N 1 3 363.549 4.262 20 0 FIADHO [NH3+]CC[C@@H]1CCCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 ZINC000420315024 1094876500 /nfs/dbraw/zinc/87/65/00/1094876500.db2.gz RKSPEYBYAUNEJJ-JTSKRJEESA-N 1 3 361.489 4.153 20 0 FIADHO Cc1nc([C@@H](C)N2CCC3(CC[NH2+]C3)CC2)oc1-c1ccc(Cl)cc1 ZINC000420345131 1094887970 /nfs/dbraw/zinc/88/79/70/1094887970.db2.gz VIPMKTZJAGSLAK-OAHLLOKOSA-N 1 3 359.901 4.440 20 0 FIADHO [NH3+]C[C@H](NCCOC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000420381722 1094905932 /nfs/dbraw/zinc/90/59/32/1094905932.db2.gz ZHWICZUUOMRNKE-QFIPXVFZSA-N 1 3 352.522 4.290 20 0 FIADHO C[NH+](C)CCCC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000501778859 1094921292 /nfs/dbraw/zinc/92/12/92/1094921292.db2.gz VWJQMAMFKPWVCO-UHFFFAOYSA-N 1 3 353.510 4.428 20 0 FIADHO CC1CC[NH+](Cc2ccc(-c3noc(C45CCCN4CCC5)n3)cc2)CC1 ZINC000420477763 1094929886 /nfs/dbraw/zinc/92/98/86/1094929886.db2.gz AMCYQQOIGINKEN-UHFFFAOYSA-N 1 3 366.509 4.053 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458553 1095487308 /nfs/dbraw/zinc/48/73/08/1095487308.db2.gz CXQQBSQIXWNWTF-UYAOXDASSA-N 1 3 352.526 4.171 20 0 FIADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000502720314 1095744044 /nfs/dbraw/zinc/74/40/44/1095744044.db2.gz ATCGIPRWRFFNMM-GHTZIAJQSA-N 1 3 364.961 4.347 20 0 FIADHO COCC[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000502720317 1095744445 /nfs/dbraw/zinc/74/44/45/1095744445.db2.gz ATCGIPRWRFFNMM-WIYYLYMNSA-N 1 3 364.961 4.347 20 0 FIADHO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000421838993 1095963629 /nfs/dbraw/zinc/96/36/29/1095963629.db2.gz WBXKGZDDZFEOFR-ZDUSSCGKSA-N 1 3 350.865 4.400 20 0 FIADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000414663885 1096375612 /nfs/dbraw/zinc/37/56/12/1096375612.db2.gz SEDVPKAIYSUEGC-RTBURBONSA-N 1 3 360.505 4.017 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC000422722130 1096471052 /nfs/dbraw/zinc/47/10/52/1096471052.db2.gz OWQJSDHMBPOSJL-IRXDYDNUSA-N 1 3 355.526 4.308 20 0 FIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000422769361 1096486758 /nfs/dbraw/zinc/48/67/58/1096486758.db2.gz OTEVTTPRTZLNCV-OZWPHOJSSA-N 1 3 362.517 4.472 20 0 FIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(-c2cccnc2)cc1 ZINC000422813886 1096498362 /nfs/dbraw/zinc/49/83/62/1096498362.db2.gz YUXJCKNCBBWYPL-ISKFKSNPSA-N 1 3 371.484 4.094 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000422891340 1096514790 /nfs/dbraw/zinc/51/47/90/1096514790.db2.gz KGZFOHFNBYHEMK-KRWDZBQOSA-N 1 3 361.489 4.279 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422900884 1096519404 /nfs/dbraw/zinc/51/94/04/1096519404.db2.gz KGCOVIXZNHIREX-CHWSQXEVSA-N 1 3 367.415 4.202 20 0 FIADHO c1c2ccccc2sc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422902785 1096520793 /nfs/dbraw/zinc/52/07/93/1096520793.db2.gz NOYUNSWYBKUXSW-NQIIRXRSSA-N 1 3 350.487 4.247 20 0 FIADHO CCCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422934566 1096529137 /nfs/dbraw/zinc/52/91/37/1096529137.db2.gz CPBASQXEYVOMFR-HOTGVXAUSA-N 1 3 371.525 4.448 20 0 FIADHO C[C@@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000423038640 1096556988 /nfs/dbraw/zinc/55/69/88/1096556988.db2.gz OTEVTTPRTZLNCV-OUPRXKBMSA-N 1 3 362.517 4.472 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000423060134 1096561046 /nfs/dbraw/zinc/56/10/46/1096561046.db2.gz NSJNHAGBFXFHPB-ONGXEEELSA-N 1 3 354.317 4.085 20 0 FIADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093230 1096572279 /nfs/dbraw/zinc/57/22/79/1096572279.db2.gz GQNYMIZQFNBVMG-KFZJALRRSA-N 1 3 355.295 4.084 20 0 FIADHO FC(F)(F)c1cccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCOCC2)c1 ZINC000423101173 1096575586 /nfs/dbraw/zinc/57/55/86/1096575586.db2.gz IFWYPPPNVHTHQT-ZZJWQFMZSA-N 1 3 368.443 4.046 20 0 FIADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000423115670 1096577660 /nfs/dbraw/zinc/57/76/60/1096577660.db2.gz YGUUZKOJTFJWEU-RTKLAUHFSA-N 1 3 358.570 4.352 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423113086 1096585812 /nfs/dbraw/zinc/58/58/12/1096585812.db2.gz YIVXSSRVGYSJLT-LHSJRXKWSA-N 1 3 373.928 4.321 20 0 FIADHO C[C@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180987 1096606210 /nfs/dbraw/zinc/60/62/10/1096606210.db2.gz BRKDLALWTPEHOZ-KBXCAEBGSA-N 1 3 374.326 4.162 20 0 FIADHO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423228493 1096623643 /nfs/dbraw/zinc/62/36/43/1096623643.db2.gz ZVQIKBCKOFEJQV-WDEREUQCSA-N 1 3 368.344 4.269 20 0 FIADHO [NH3+]C1CCC(N[C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000423233436 1096625587 /nfs/dbraw/zinc/62/55/87/1096625587.db2.gz OIHCYZBLYSFARY-LADRWXRNSA-N 1 3 359.311 4.398 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423359231 1096656092 /nfs/dbraw/zinc/65/60/92/1096656092.db2.gz URWVPXAZXNVRFL-YCSHWKNNSA-N 1 3 361.533 4.431 20 0 FIADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423359231 1096656095 /nfs/dbraw/zinc/65/60/95/1096656095.db2.gz URWVPXAZXNVRFL-YCSHWKNNSA-N 1 3 361.533 4.431 20 0 FIADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(F)cc(Br)c1 ZINC000423402164 1096671360 /nfs/dbraw/zinc/67/13/60/1096671360.db2.gz WIXPNCQSOAEPHE-GOSISDBHSA-N 1 3 363.274 4.432 20 0 FIADHO Brc1ccc([C@@H](NCCC[C@@H]2CCC[NH2+]2)c2ccco2)cc1 ZINC000423470845 1096693204 /nfs/dbraw/zinc/69/32/04/1096693204.db2.gz DMKGCVHBEAZBEA-FUHWJXTLSA-N 1 3 363.299 4.253 20 0 FIADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000423480960 1096698153 /nfs/dbraw/zinc/69/81/53/1096698153.db2.gz WJOFPABBMQXNAV-HQLNMQRFSA-N 1 3 374.544 4.379 20 0 FIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000423454001 1096700012 /nfs/dbraw/zinc/70/00/12/1096700012.db2.gz LFYSXRFTMWYMBA-ACJLOTCBSA-N 1 3 365.290 4.395 20 0 FIADHO CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423510650 1096710085 /nfs/dbraw/zinc/71/00/85/1096710085.db2.gz MWIQKCVYYAVSFT-ZWKOTPCHSA-N 1 3 370.493 4.212 20 0 FIADHO [NH3+]CCC[C@@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)c1ccccc1 ZINC000423524477 1096713213 /nfs/dbraw/zinc/71/32/13/1096713213.db2.gz XBBBVLSNVCKOJZ-YADHBBJMSA-N 1 3 360.505 4.320 20 0 FIADHO COc1cccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2Cl)c1 ZINC000423542234 1096717510 /nfs/dbraw/zinc/71/75/10/1096717510.db2.gz MEUXNVLJQQEPPS-FBAVSBLXSA-N 1 3 370.924 4.416 20 0 FIADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000436296610 1098909983 /nfs/dbraw/zinc/90/99/83/1098909983.db2.gz VFUZGRDKELLIDE-YLJYHZDGSA-N 1 3 360.542 4.022 20 0 FIADHO COc1ccc(C[C@@H](C)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000436296610 1098909984 /nfs/dbraw/zinc/90/99/84/1098909984.db2.gz VFUZGRDKELLIDE-YLJYHZDGSA-N 1 3 360.542 4.022 20 0 FIADHO COc1ccc([C@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000162277038 1099672274 /nfs/dbraw/zinc/67/22/74/1099672274.db2.gz HTKAYFOLCTTZKV-HOTGVXAUSA-N 1 3 360.473 4.187 20 0 FIADHO C[C@H]([NH2+]CCc1nc2ccccc2s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508691806 1099824479 /nfs/dbraw/zinc/82/44/79/1099824479.db2.gz QEPKUATUQSQHRB-PKOBYXMFSA-N 1 3 365.546 4.339 20 0 FIADHO COc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)ccc1SC ZINC000162578090 1099887590 /nfs/dbraw/zinc/88/75/90/1099887590.db2.gz JFEAMMIFDVSUKT-INIZCTEOSA-N 1 3 374.550 4.208 20 0 FIADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708939 1099888829 /nfs/dbraw/zinc/88/88/29/1099888829.db2.gz FCXQGUBSRIBUKA-KSEOMHKRSA-N 1 3 369.553 4.163 20 0 FIADHO CCN(CC)[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000508708939 1099888846 /nfs/dbraw/zinc/88/88/46/1099888846.db2.gz FCXQGUBSRIBUKA-KSEOMHKRSA-N 1 3 369.553 4.163 20 0 FIADHO CCOc1ccc(CN(CC)Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000506055013 1099943232 /nfs/dbraw/zinc/94/32/32/1099943232.db2.gz GVNGJQTZCUNMCV-UHFFFAOYSA-N 1 3 356.510 4.178 20 0 FIADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459394890 1100121368 /nfs/dbraw/zinc/12/13/68/1100121368.db2.gz SQTOILREUHPTDK-XUVXKRRUSA-N 1 3 362.583 4.177 20 0 FIADHO c1ccc(C[NH+]2CCC([C@H]3CCCCCN3Cc3ncccn3)CC2)cc1 ZINC000459531386 1100281729 /nfs/dbraw/zinc/28/17/29/1100281729.db2.gz VPYMLMLOPKZMBZ-JOCHJYFZSA-N 1 3 364.537 4.133 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000536857651 1100372450 /nfs/dbraw/zinc/37/24/50/1100372450.db2.gz LSVBYFLMPRIDOD-OAGGEKHMSA-N 1 3 358.448 4.245 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000536857655 1100373123 /nfs/dbraw/zinc/37/31/23/1100373123.db2.gz LSVBYFLMPRIDOD-OWCLPIDISA-N 1 3 358.448 4.245 20 0 FIADHO COc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1O ZINC000426159746 1100929705 /nfs/dbraw/zinc/92/97/05/1100929705.db2.gz IOMKZJIHUAIFEI-KRWDZBQOSA-N 1 3 360.542 4.109 20 0 FIADHO CC(C)COc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000518277619 1101061110 /nfs/dbraw/zinc/06/11/10/1101061110.db2.gz ZATHUHSRXURPDK-HSZRJFAPSA-N 1 3 366.549 4.376 20 0 FIADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000537013766 1101394249 /nfs/dbraw/zinc/39/42/49/1101394249.db2.gz QODUNEOYGMFSCH-ZLNRFVROSA-N 1 3 374.544 4.415 20 0 FIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCc2cccnc2)cc1 ZINC000537024565 1101402330 /nfs/dbraw/zinc/40/23/30/1101402330.db2.gz PVUUPHVVHNLJAW-WIYYLYMNSA-N 1 3 353.510 4.186 20 0 FIADHO C[C@H](c1cc(Cl)ccc1Cl)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537035349 1101410528 /nfs/dbraw/zinc/41/05/28/1101410528.db2.gz AGVORUZZWBPGDS-CQSZACIVSA-N 1 3 358.357 4.012 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000537104859 1101451789 /nfs/dbraw/zinc/45/17/89/1101451789.db2.gz XQFAYWSPEYLCGO-FQEVSTJZSA-N 1 3 374.912 4.284 20 0 FIADHO Cc1cccc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000537160153 1101506106 /nfs/dbraw/zinc/50/61/06/1101506106.db2.gz DXCSDFXYWIGVHP-NRFANRHFSA-N 1 3 350.506 4.115 20 0 FIADHO COc1cccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1OC(C)C ZINC000518763515 1101518556 /nfs/dbraw/zinc/51/85/56/1101518556.db2.gz RTFMRJUAGMCLAY-OALUTQOASA-N 1 3 362.558 4.330 20 0 FIADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000537306045 1101631469 /nfs/dbraw/zinc/63/14/69/1101631469.db2.gz BRPKJBGZDZIRBI-ZLGUVYLKSA-N 1 3 370.537 4.414 20 0 FIADHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000648446707 1101705984 /nfs/dbraw/zinc/70/59/84/1101705984.db2.gz PQTKYSUARUHPTN-RBUKOAKNSA-N 1 3 350.934 4.099 20 0 FIADHO COc1cccc(CC2([NH3+])CCN([C@H](C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001168169178 1101853538 /nfs/dbraw/zinc/85/35/38/1101853538.db2.gz XLORNGCMMUNFPW-QGZVFWFLSA-N 1 3 372.940 4.316 20 0 FIADHO COCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000519076376 1101898943 /nfs/dbraw/zinc/89/89/43/1101898943.db2.gz STRJBMSBDMUGHK-IBGZPJMESA-N 1 3 370.459 4.247 20 0 FIADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189551 1101986466 /nfs/dbraw/zinc/98/64/66/1101986466.db2.gz DJYYZIVJQXDJFF-AKIFATBCSA-N 1 3 370.581 4.474 20 0 FIADHO COc1ccc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000061000068 1102187165 /nfs/dbraw/zinc/18/71/65/1102187165.db2.gz MFMBVGBNUNFDOC-OALUTQOASA-N 1 3 352.522 4.463 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000120582919 1102234752 /nfs/dbraw/zinc/23/47/52/1102234752.db2.gz CCUNYXMXTUPKRI-QGZVFWFLSA-N 1 3 356.510 4.396 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000120581382 1102235721 /nfs/dbraw/zinc/23/57/21/1102235721.db2.gz YYDSBKPIZCKXKO-QGZVFWFLSA-N 1 3 354.494 4.150 20 0 FIADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000532448874 1102336228 /nfs/dbraw/zinc/33/62/28/1102336228.db2.gz SDMJSHNLZSQSRR-DEOSSOPVSA-N 1 3 363.549 4.065 20 0 FIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000532514565 1102449565 /nfs/dbraw/zinc/44/95/65/1102449565.db2.gz WMOKQMDBZVLXOS-NRFANRHFSA-N 1 3 364.961 4.347 20 0 FIADHO Cc1ccc(Cl)c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1F ZINC001167973076 1102525462 /nfs/dbraw/zinc/52/54/62/1102525462.db2.gz FSRUZONOXKUMDX-ALOPSCKCSA-N 1 3 350.909 4.325 20 0 FIADHO Cc1ccc(Cl)c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1F ZINC001167973076 1102525471 /nfs/dbraw/zinc/52/54/71/1102525471.db2.gz FSRUZONOXKUMDX-ALOPSCKCSA-N 1 3 350.909 4.325 20 0 FIADHO CCCOc1c(Cl)cc(C[NH2+]C2CCN(CCC)CC2)cc1OCC ZINC000061016527 1102616216 /nfs/dbraw/zinc/61/62/16/1102616216.db2.gz NOZXIWZGPFIHCP-UHFFFAOYSA-N 1 3 368.949 4.492 20 0 FIADHO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012506 1102781594 /nfs/dbraw/zinc/78/15/94/1102781594.db2.gz RLIXMRKNMIAUIN-MOPGFXCFSA-N 1 3 359.311 4.374 20 0 FIADHO C[N@H+]1CC[C@@H](NCc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000551012506 1102781603 /nfs/dbraw/zinc/78/16/03/1102781603.db2.gz RLIXMRKNMIAUIN-MOPGFXCFSA-N 1 3 359.311 4.374 20 0 FIADHO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551263641 1103021896 /nfs/dbraw/zinc/02/18/96/1103021896.db2.gz DDUREAVJZFVRRR-DENIHFKCSA-N 1 3 356.554 4.084 20 0 FIADHO Cc1ccccc1[C@H](C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000551428897 1103220719 /nfs/dbraw/zinc/22/07/19/1103220719.db2.gz WAZHZEPTFXLKSR-FQEVSTJZSA-N 1 3 373.585 4.003 20 0 FIADHO CC(C)Oc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000551778470 1103624481 /nfs/dbraw/zinc/62/44/81/1103624481.db2.gz ITGDRIZJWDDVMX-IRXDYDNUSA-N 1 3 368.949 4.279 20 0 FIADHO CC(C)Oc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000551778470 1103624493 /nfs/dbraw/zinc/62/44/93/1103624493.db2.gz ITGDRIZJWDDVMX-IRXDYDNUSA-N 1 3 368.949 4.279 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000519841022 1103894919 /nfs/dbraw/zinc/89/49/19/1103894919.db2.gz BTLBJEPPXGEWLW-HXUWFJFHSA-N 1 3 356.485 4.453 20 0 FIADHO CN(C)c1ccccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000520233890 1104191057 /nfs/dbraw/zinc/19/10/57/1104191057.db2.gz PBCDZRUNSYFILC-UHFFFAOYSA-N 1 3 371.956 4.408 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419132 1104399733 /nfs/dbraw/zinc/39/97/33/1104399733.db2.gz JJURSYUUAFFQPX-SIKLNZKXSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441419132 1104399746 /nfs/dbraw/zinc/39/97/46/1104399746.db2.gz JJURSYUUAFFQPX-SIKLNZKXSA-N 1 3 350.506 4.167 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000188445463 1104463319 /nfs/dbraw/zinc/46/33/19/1104463319.db2.gz VRWZETWYIYLZKB-YADHBBJMSA-N 1 3 356.485 4.023 20 0 FIADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1 ZINC000188445463 1104463321 /nfs/dbraw/zinc/46/33/21/1104463321.db2.gz VRWZETWYIYLZKB-YADHBBJMSA-N 1 3 356.485 4.023 20 0 FIADHO c1ccc2cc(OCCN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425126 1104563754 /nfs/dbraw/zinc/56/37/54/1104563754.db2.gz WOHDMGVPPHCSHQ-OFNKIYASSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2cc(OCCN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425126 1104563758 /nfs/dbraw/zinc/56/37/58/1104563758.db2.gz WOHDMGVPPHCSHQ-OFNKIYASSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2cc(OCCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441425124 1104563823 /nfs/dbraw/zinc/56/38/23/1104563823.db2.gz WOHDMGVPPHCSHQ-NZQKXSOJSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2cc(OCCN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441425124 1104563827 /nfs/dbraw/zinc/56/38/27/1104563827.db2.gz WOHDMGVPPHCSHQ-NZQKXSOJSA-N 1 3 350.506 4.167 20 0 FIADHO COc1cc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(-c2ccccc2)cc1OC ZINC000530675902 1107248706 /nfs/dbraw/zinc/24/87/06/1107248706.db2.gz ZQPVHMQHOCPZDL-PMACEKPBSA-N 1 3 368.521 4.333 20 0 FIADHO Cc1ccc2nccc(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)c2c1 ZINC000302906189 1107485057 /nfs/dbraw/zinc/48/50/57/1107485057.db2.gz WOFBIGYJBBYFLC-FQEVSTJZSA-N 1 3 361.489 4.112 20 0 FIADHO Cc1ccc2nccc(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)c2c1 ZINC000302906189 1107485062 /nfs/dbraw/zinc/48/50/62/1107485062.db2.gz WOFBIGYJBBYFLC-FQEVSTJZSA-N 1 3 361.489 4.112 20 0 FIADHO C[C@H](Cc1ccc(Br)cc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000475573333 1107768695 /nfs/dbraw/zinc/76/86/95/1107768695.db2.gz HQZAWHMJNQYTTN-NVPAJSRCSA-N 1 3 369.322 4.126 20 0 FIADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000531705511 1108083471 /nfs/dbraw/zinc/08/34/71/1108083471.db2.gz CZEWRWWHWABVMI-ZHRRBRCNSA-N 1 3 356.485 4.179 20 0 FIADHO Clc1ccc([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000453112608 1108181219 /nfs/dbraw/zinc/18/12/19/1108181219.db2.gz QYPTWSTVPOJNGQ-KKSFZXQISA-N 1 3 362.945 4.272 20 0 FIADHO c1cc2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]4CCC[C@H]43)nc2[nH]1 ZINC000453263045 1108336721 /nfs/dbraw/zinc/33/67/21/1108336721.db2.gz YLYABPCJJUQXOI-FDFHNCONSA-N 1 3 360.505 4.096 20 0 FIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000531941961 1108384289 /nfs/dbraw/zinc/38/42/89/1108384289.db2.gz ALBCRHFLPJMWRT-KRWDZBQOSA-N 1 3 363.505 4.018 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000532210181 1108712904 /nfs/dbraw/zinc/71/29/04/1108712904.db2.gz WHMHEZPZUWNPKY-KRWDZBQOSA-N 1 3 372.557 4.085 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CSCCc4ccccc43)C2)cc1 ZINC000532216047 1108715679 /nfs/dbraw/zinc/71/56/79/1108715679.db2.gz QDDDFBWHAXXTER-NZQKXSOJSA-N 1 3 366.574 4.171 20 0 FIADHO COc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC(F)F)c1 ZINC000524457900 1109020616 /nfs/dbraw/zinc/02/06/16/1109020616.db2.gz LAYFRJZDLLSBAO-IYBDPMFKSA-N 1 3 370.484 4.144 20 0 FIADHO COc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC(F)F)c1 ZINC000524457900 1109020625 /nfs/dbraw/zinc/02/06/25/1109020625.db2.gz LAYFRJZDLLSBAO-IYBDPMFKSA-N 1 3 370.484 4.144 20 0 FIADHO CN(C)Cc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000524976909 1109226065 /nfs/dbraw/zinc/22/60/65/1109226065.db2.gz SMZGSHFLFFUZDI-UHFFFAOYSA-N 1 3 365.521 4.029 20 0 FIADHO Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c2cc(OC(F)F)ccc2n1 ZINC000525362975 1109352792 /nfs/dbraw/zinc/35/27/92/1109352792.db2.gz IRUGKNIOTCFBQN-UHFFFAOYSA-N 1 3 363.452 4.455 20 0 FIADHO Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)c2cc(OC(F)F)ccc2n1 ZINC000525362975 1109352797 /nfs/dbraw/zinc/35/27/97/1109352797.db2.gz IRUGKNIOTCFBQN-UHFFFAOYSA-N 1 3 363.452 4.455 20 0 FIADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(Br)cc1Cl ZINC000446938954 1109395014 /nfs/dbraw/zinc/39/50/14/1109395014.db2.gz YQIZHXZRLMUOFC-INIZCTEOSA-N 1 3 357.723 4.405 20 0 FIADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1Cl ZINC000446938954 1109395018 /nfs/dbraw/zinc/39/50/18/1109395018.db2.gz YQIZHXZRLMUOFC-INIZCTEOSA-N 1 3 357.723 4.405 20 0 FIADHO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1ccncc1Cl ZINC000527665365 1109798637 /nfs/dbraw/zinc/79/86/37/1109798637.db2.gz IUMXCUYMZDGFLE-UHFFFAOYSA-N 1 3 355.869 4.250 20 0 FIADHO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ccncc1Cl ZINC000527665365 1109798638 /nfs/dbraw/zinc/79/86/38/1109798638.db2.gz IUMXCUYMZDGFLE-UHFFFAOYSA-N 1 3 355.869 4.250 20 0 FIADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)OC)c1 ZINC000527732912 1109814103 /nfs/dbraw/zinc/81/41/03/1109814103.db2.gz BOGCHZXLPSRYPP-AAIMPIBUSA-N 1 3 368.521 4.025 20 0 FIADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)OC)c1 ZINC000527732912 1109814105 /nfs/dbraw/zinc/81/41/05/1109814105.db2.gz BOGCHZXLPSRYPP-AAIMPIBUSA-N 1 3 368.521 4.025 20 0 FIADHO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000449086051 1109970884 /nfs/dbraw/zinc/97/08/84/1109970884.db2.gz BLDWKWPOMSVLJF-QGZVFWFLSA-N 1 3 367.306 4.040 20 0 FIADHO CCc1nc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)sc1C ZINC000449117673 1109979678 /nfs/dbraw/zinc/97/96/78/1109979678.db2.gz VLZVVULMEFMUBW-QGZVFWFLSA-N 1 3 371.594 4.242 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2OC)[C@@H](C)C1 ZINC000449139406 1109983775 /nfs/dbraw/zinc/98/37/75/1109983775.db2.gz KYPIRVMERINKIL-PGRDOPGGSA-N 1 3 370.537 4.075 20 0 FIADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000449219040 1109999838 /nfs/dbraw/zinc/99/98/38/1109999838.db2.gz MCTFMFSQFBUYTE-RXVVDRJESA-N 1 3 371.594 4.036 20 0 FIADHO C[C@@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000449316965 1110030835 /nfs/dbraw/zinc/03/08/35/1110030835.db2.gz APKUFBXLNGLNQG-ZWKOTPCHSA-N 1 3 362.521 4.309 20 0 FIADHO CO[C@H](c1ccccc1F)[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538407276 1111118451 /nfs/dbraw/zinc/11/84/51/1111118451.db2.gz RXIUVMBSKVPOFR-VGSWGCGISA-N 1 3 356.485 4.156 20 0 FIADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000538396707 1111123037 /nfs/dbraw/zinc/12/30/37/1111123037.db2.gz VJZCAQMPUMTEMD-CQSZACIVSA-N 1 3 369.347 4.230 20 0 FIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746664 1111279224 /nfs/dbraw/zinc/27/92/24/1111279224.db2.gz RCVVIQFBZDPNJC-CNNODRBYSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1N(C)C ZINC000538746664 1111279226 /nfs/dbraw/zinc/27/92/26/1111279226.db2.gz RCVVIQFBZDPNJC-CNNODRBYSA-N 1 3 351.538 4.314 20 0 FIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1O2 ZINC000539395543 1111542326 /nfs/dbraw/zinc/54/23/26/1111542326.db2.gz QQECWBSPZITUEF-NRFANRHFSA-N 1 3 368.496 4.336 20 0 FIADHO CC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000552062515 1111562789 /nfs/dbraw/zinc/56/27/89/1111562789.db2.gz ZZXNOASOXDEVDS-BHDDXSALSA-N 1 3 356.554 4.084 20 0 FIADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000552247505 1111637550 /nfs/dbraw/zinc/63/75/50/1111637550.db2.gz RXKMWARPJAPIJN-GOSISDBHSA-N 1 3 374.447 4.127 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@@H+]1C ZINC000479055370 1111937923 /nfs/dbraw/zinc/93/79/23/1111937923.db2.gz FICPBTQCSNDUSM-IFIJOSMWSA-N 1 3 351.332 4.244 20 0 FIADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc(Br)cc32)CC[N@H+]1C ZINC000479055370 1111937924 /nfs/dbraw/zinc/93/79/24/1111937924.db2.gz FICPBTQCSNDUSM-IFIJOSMWSA-N 1 3 351.332 4.244 20 0 FIADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1F ZINC000479055245 1111937931 /nfs/dbraw/zinc/93/79/31/1111937931.db2.gz GXTOKFXUXLOGOY-QINHECLXSA-N 1 3 354.485 4.141 20 0 FIADHO COC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449108 1112027349 /nfs/dbraw/zinc/02/73/49/1112027349.db2.gz UGCLSARJYOXCSM-RXVVDRJESA-N 1 3 358.913 4.139 20 0 FIADHO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000479460995 1112032285 /nfs/dbraw/zinc/03/22/85/1112032285.db2.gz AGNNTGHITLJLQP-GHTZIAJQSA-N 1 3 354.469 4.151 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000479553112 1112069740 /nfs/dbraw/zinc/06/97/40/1112069740.db2.gz PLCSRWOEPWTKDM-HNNXBMFYSA-N 1 3 369.347 4.202 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000479553112 1112069744 /nfs/dbraw/zinc/06/97/44/1112069744.db2.gz PLCSRWOEPWTKDM-HNNXBMFYSA-N 1 3 369.347 4.202 20 0 FIADHO Cc1cc2[nH]c(CNCc3ccc(OCCC[NH+](C)C)cc3)cc2c(C)c1 ZINC000479557005 1112070922 /nfs/dbraw/zinc/07/09/22/1112070922.db2.gz RVRUIJLNKCYQFO-UHFFFAOYSA-N 1 3 365.521 4.405 20 0 FIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)s2)cc1 ZINC000479858108 1112164494 /nfs/dbraw/zinc/16/44/94/1112164494.db2.gz IGLFWHDMBUBOIW-CQSZACIVSA-N 1 3 361.555 4.366 20 0 FIADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000554087124 1112198779 /nfs/dbraw/zinc/19/87/79/1112198779.db2.gz UJDROACQUPLQJW-FDFHNCONSA-N 1 3 358.570 4.330 20 0 FIADHO COc1cccc2c1CC[C@@H]2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000480445783 1112432016 /nfs/dbraw/zinc/43/20/16/1112432016.db2.gz HDGXPXFKXIPHNC-QFIPXVFZSA-N 1 3 350.506 4.458 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2CNCc2ccsc2Cl)C[C@H](C)O1 ZINC000480667204 1112535623 /nfs/dbraw/zinc/53/56/23/1112535623.db2.gz QYRKVNKKZSQOPV-GASCZTMLSA-N 1 3 364.942 4.301 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2CNCc2ccsc2Cl)C[C@H](C)O1 ZINC000480667204 1112535627 /nfs/dbraw/zinc/53/56/27/1112535627.db2.gz QYRKVNKKZSQOPV-GASCZTMLSA-N 1 3 364.942 4.301 20 0 FIADHO CC[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC000480758756 1112589864 /nfs/dbraw/zinc/58/98/64/1112589864.db2.gz OKTFQRIHRBJFOW-HSZRJFAPSA-N 1 3 352.522 4.443 20 0 FIADHO CC1CC[NH+](C2CCC(NCc3conc3Cc3ccccc3)CC2)CC1 ZINC000555563583 1112928277 /nfs/dbraw/zinc/92/82/77/1112928277.db2.gz MSZBPQAKUIKOKT-UHFFFAOYSA-N 1 3 367.537 4.398 20 0 FIADHO C[C@@H](NCc1ccccc1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000481710374 1113050222 /nfs/dbraw/zinc/05/02/22/1113050222.db2.gz BOYCPVVQXPZSIQ-OAHLLOKOSA-N 1 3 366.427 4.497 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCC2 ZINC000482442950 1113257836 /nfs/dbraw/zinc/25/78/36/1113257836.db2.gz ZYHSOWFROUIPPV-GBXCKJPGSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2 ZINC000482442950 1113257841 /nfs/dbraw/zinc/25/78/41/1113257841.db2.gz ZYHSOWFROUIPPV-GBXCKJPGSA-N 1 3 364.533 4.227 20 0 FIADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CCC2 ZINC000482442950 1113257844 /nfs/dbraw/zinc/25/78/44/1113257844.db2.gz ZYHSOWFROUIPPV-GBXCKJPGSA-N 1 3 364.533 4.227 20 0 FIADHO COc1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000483159844 1113451416 /nfs/dbraw/zinc/45/14/16/1113451416.db2.gz SNJJFVFKFIFQJB-JTSKRJEESA-N 1 3 350.506 4.498 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000486080699 1113500800 /nfs/dbraw/zinc/50/08/00/1113500800.db2.gz LEVPPLUHSVUNRA-QRQLOZEOSA-N 1 3 372.475 4.059 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708760 1113627201 /nfs/dbraw/zinc/62/72/01/1113627201.db2.gz KHDXSYZFXXNAEB-IIBYNOLFSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000486708760 1113627204 /nfs/dbraw/zinc/62/72/04/1113627204.db2.gz KHDXSYZFXXNAEB-IIBYNOLFSA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571781271 1114537328 /nfs/dbraw/zinc/53/73/28/1114537328.db2.gz RIPCKNWKOGBYRM-FCEUIQTBSA-N 1 3 370.581 4.330 20 0 FIADHO CSc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573651937 1115161573 /nfs/dbraw/zinc/16/15/73/1115161573.db2.gz QUWVXTYCICXBIE-ZWKOTPCHSA-N 1 3 358.576 4.424 20 0 FIADHO CSc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573651937 1115161576 /nfs/dbraw/zinc/16/15/76/1115161576.db2.gz QUWVXTYCICXBIE-ZWKOTPCHSA-N 1 3 358.576 4.424 20 0 FIADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168415471 1115822303 /nfs/dbraw/zinc/82/23/03/1115822303.db2.gz BQOYBDAHNGKMSU-OAQYLSRUSA-N 1 3 372.915 4.372 20 0 FIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1csc(-c2ccccc2F)n1 ZINC000462802293 1117785926 /nfs/dbraw/zinc/78/59/26/1117785926.db2.gz KRCXEQLPBVYBLZ-CQSZACIVSA-N 1 3 359.514 4.474 20 0 FIADHO Fc1ccc(CC[NH+]2CCC(N[C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000463114397 1117970486 /nfs/dbraw/zinc/97/04/86/1117970486.db2.gz SJFXPKOTOYQYKN-QFIPXVFZSA-N 1 3 356.460 4.249 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2Cn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000463140050 1117987393 /nfs/dbraw/zinc/98/73/93/1117987393.db2.gz KACCDRZDIKBAQD-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccccc2Cn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000463140050 1117987396 /nfs/dbraw/zinc/98/73/96/1117987396.db2.gz KACCDRZDIKBAQD-YKSBVNFPSA-N 1 3 374.532 4.074 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208938 1118022347 /nfs/dbraw/zinc/02/23/47/1118022347.db2.gz ZSWMGKOWXJBBCI-JUXOCIIHSA-N 1 3 350.506 4.325 20 0 FIADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463208938 1118022354 /nfs/dbraw/zinc/02/23/54/1118022354.db2.gz ZSWMGKOWXJBBCI-JUXOCIIHSA-N 1 3 350.506 4.325 20 0 FIADHO CN1CC=C(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000540608781 1118148726 /nfs/dbraw/zinc/14/87/26/1118148726.db2.gz TVYLEBVESWEDQI-QGZVFWFLSA-N 1 3 357.498 4.178 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540992650 1118342239 /nfs/dbraw/zinc/34/22/39/1118342239.db2.gz YIULYTOEUVHGRV-PXNSSMCTSA-N 1 3 370.562 4.216 20 0 FIADHO CCSc1ccccc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540992650 1118342242 /nfs/dbraw/zinc/34/22/42/1118342242.db2.gz YIULYTOEUVHGRV-PXNSSMCTSA-N 1 3 370.562 4.216 20 0 FIADHO CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464833563 1118709055 /nfs/dbraw/zinc/70/90/55/1118709055.db2.gz FISMGTXKXUFHIK-JOCHJYFZSA-N 1 3 352.522 4.428 20 0 FIADHO CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000464833563 1118709057 /nfs/dbraw/zinc/70/90/57/1118709057.db2.gz FISMGTXKXUFHIK-JOCHJYFZSA-N 1 3 352.522 4.428 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365897 1119035557 /nfs/dbraw/zinc/03/55/57/1119035557.db2.gz UXVBXSFZQAFIQB-IRXDYDNUSA-N 1 3 374.550 4.328 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365897 1119035560 /nfs/dbraw/zinc/03/55/60/1119035560.db2.gz UXVBXSFZQAFIQB-IRXDYDNUSA-N 1 3 374.550 4.328 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365916 1119035757 /nfs/dbraw/zinc/03/57/57/1119035757.db2.gz UXVBXSFZQAFIQB-DLBZAZTESA-N 1 3 374.550 4.328 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365916 1119035761 /nfs/dbraw/zinc/03/57/61/1119035761.db2.gz UXVBXSFZQAFIQB-DLBZAZTESA-N 1 3 374.550 4.328 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190764919 1119948424 /nfs/dbraw/zinc/94/84/24/1119948424.db2.gz RFVIGVFXFIDAMK-IBGZPJMESA-N 1 3 366.553 4.059 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190764919 1119948425 /nfs/dbraw/zinc/94/84/25/1119948425.db2.gz RFVIGVFXFIDAMK-IBGZPJMESA-N 1 3 366.553 4.059 20 0 FIADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000191460225 1119978296 /nfs/dbraw/zinc/97/82/96/1119978296.db2.gz HHSVBVYCGTXTQO-LJQANCHMSA-N 1 3 357.542 4.232 20 0 FIADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000191460225 1119978299 /nfs/dbraw/zinc/97/82/99/1119978299.db2.gz HHSVBVYCGTXTQO-LJQANCHMSA-N 1 3 357.542 4.232 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccnn1-c1ccccc1 ZINC000467374496 1119981181 /nfs/dbraw/zinc/98/11/81/1119981181.db2.gz XRAFDDDNGBPDSX-FPOVZHCZSA-N 1 3 360.505 4.045 20 0 FIADHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000195132438 1120119201 /nfs/dbraw/zinc/11/92/01/1120119201.db2.gz JRXJOOUDBYLEMS-PXNSSMCTSA-N 1 3 354.542 4.119 20 0 FIADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CCCO2 ZINC000195133142 1120120652 /nfs/dbraw/zinc/12/06/52/1120120652.db2.gz DNRGUGFLOCQUIM-DENIHFKCSA-N 1 3 366.505 4.021 20 0 FIADHO Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000495077987 1120462710 /nfs/dbraw/zinc/46/27/10/1120462710.db2.gz HAXPCPGZTMLTIU-JTSKRJEESA-N 1 3 360.517 4.290 20 0 FIADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000153388446 1120582801 /nfs/dbraw/zinc/58/28/01/1120582801.db2.gz UDHAUHODOJHADV-NRFANRHFSA-N 1 3 368.521 4.193 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495434210 1120809846 /nfs/dbraw/zinc/80/98/46/1120809846.db2.gz QSBIOIUUFVFPHA-UEXGIBASSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)COC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434210 1120809852 /nfs/dbraw/zinc/80/98/52/1120809852.db2.gz QSBIOIUUFVFPHA-UEXGIBASSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650765 1120945341 /nfs/dbraw/zinc/94/53/41/1120945341.db2.gz RPZMGOZUPOVLEI-GJZGRUSLSA-N 1 3 358.498 4.153 20 0 FIADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650765 1120945344 /nfs/dbraw/zinc/94/53/44/1120945344.db2.gz RPZMGOZUPOVLEI-GJZGRUSLSA-N 1 3 358.498 4.153 20 0 FIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cc(Br)ncc1F ZINC000762736736 1120957091 /nfs/dbraw/zinc/95/70/91/1120957091.db2.gz RRFLNDBMTBEWCX-ZIAGYGMSSA-N 1 3 372.326 4.288 20 0 FIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cc(Br)ncc1F ZINC000762736736 1120957093 /nfs/dbraw/zinc/95/70/93/1120957093.db2.gz RRFLNDBMTBEWCX-ZIAGYGMSSA-N 1 3 372.326 4.288 20 0 FIADHO Brc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000166263269 1121461110 /nfs/dbraw/zinc/46/11/10/1121461110.db2.gz CQFCYXARNQDGNX-ZWKOTPCHSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000166263269 1121461114 /nfs/dbraw/zinc/46/11/14/1121461114.db2.gz CQFCYXARNQDGNX-ZWKOTPCHSA-N 1 3 363.343 4.087 20 0 FIADHO CN1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000108428696 1121541632 /nfs/dbraw/zinc/54/16/32/1121541632.db2.gz BFYRDZRMRHSUSH-QGZVFWFLSA-N 1 3 371.912 4.024 20 0 FIADHO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542596019 1121586568 /nfs/dbraw/zinc/58/65/68/1121586568.db2.gz PSIUBPWAKMNYFW-HXUWFJFHSA-N 1 3 363.977 4.141 20 0 FIADHO C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)CN1CCCC1 ZINC000062078480 1121596112 /nfs/dbraw/zinc/59/61/12/1121596112.db2.gz CFLYYJTYMISPNV-NXVRBGIVSA-N 1 3 351.332 4.017 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000123603217 1121618385 /nfs/dbraw/zinc/61/83/85/1121618385.db2.gz PSKWUAUNVQRAAS-LJQANCHMSA-N 1 3 359.311 4.288 20 0 FIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749990 1121709200 /nfs/dbraw/zinc/70/92/00/1121709200.db2.gz CXBNJNLGQMZSSE-GJYPPUQNSA-N 1 3 365.477 4.095 20 0 FIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671749990 1121709209 /nfs/dbraw/zinc/70/92/09/1121709209.db2.gz CXBNJNLGQMZSSE-GJYPPUQNSA-N 1 3 365.477 4.095 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000126801807 1121997185 /nfs/dbraw/zinc/99/71/85/1121997185.db2.gz MIDPGQJYHZUYSP-HOTGVXAUSA-N 1 3 362.514 4.459 20 0 FIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000126801807 1121997188 /nfs/dbraw/zinc/99/71/88/1121997188.db2.gz MIDPGQJYHZUYSP-HOTGVXAUSA-N 1 3 362.514 4.459 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000917008333 1122000326 /nfs/dbraw/zinc/00/03/26/1122000326.db2.gz JQNNPQFWRIUWJD-KKSFZXQISA-N 1 3 374.475 4.162 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000917008333 1122000332 /nfs/dbraw/zinc/00/03/32/1122000332.db2.gz JQNNPQFWRIUWJD-KKSFZXQISA-N 1 3 374.475 4.162 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898007 1122024886 /nfs/dbraw/zinc/02/48/86/1122024886.db2.gz QPNGAUWOCLDJJS-JKSUJKDBSA-N 1 3 358.507 4.040 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCO2 ZINC000126898007 1122024894 /nfs/dbraw/zinc/02/48/94/1122024894.db2.gz QPNGAUWOCLDJJS-JKSUJKDBSA-N 1 3 358.507 4.040 20 0 FIADHO COc1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)CCO2)cc1 ZINC001168616016 1122099652 /nfs/dbraw/zinc/09/96/52/1122099652.db2.gz QEERKWQTBIGAJH-GMAHTHKFSA-N 1 3 372.553 4.160 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CCOCC2CCC2)cc1CN1CCCCC1 ZINC000765812732 1122104234 /nfs/dbraw/zinc/10/42/34/1122104234.db2.gz XSPPETBQPITHNT-GOSISDBHSA-N 1 3 360.542 4.148 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497518964 1122269346 /nfs/dbraw/zinc/26/93/46/1122269346.db2.gz AEJDLARQJVIUKY-NRFANRHFSA-N 1 3 357.542 4.137 20 0 FIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3sc(Br)cc32)cc1 ZINC000556052078 1122624967 /nfs/dbraw/zinc/62/49/67/1122624967.db2.gz BPXBVYYSRJTTSS-OAHLLOKOSA-N 1 3 365.340 4.349 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178780 1122717849 /nfs/dbraw/zinc/71/78/49/1122717849.db2.gz ISLFBGVYDQMBFL-UGKGYDQZSA-N 1 3 366.505 4.036 20 0 FIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)OC)cc1 ZINC000556178780 1122717853 /nfs/dbraw/zinc/71/78/53/1122717853.db2.gz ISLFBGVYDQMBFL-UGKGYDQZSA-N 1 3 366.505 4.036 20 0 FIADHO C[NH2+]C1CCC(N(C)Cc2cc(Br)c(Cl)cc2F)CC1 ZINC001236214474 1123062866 /nfs/dbraw/zinc/06/28/66/1123062866.db2.gz FVJDJCCIQIAAOT-UHFFFAOYSA-N 1 3 363.702 4.204 20 0 FIADHO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)c1OC ZINC000556889551 1123175664 /nfs/dbraw/zinc/17/56/64/1123175664.db2.gz JHGPPIBXELTJMA-HQRMLTQVSA-N 1 3 374.569 4.186 20 0 FIADHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)c1OC ZINC000556889554 1123176335 /nfs/dbraw/zinc/17/63/35/1123176335.db2.gz JHGPPIBXELTJMA-XKGZKEIXSA-N 1 3 374.569 4.186 20 0 FIADHO COc1cccc(C2([NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000556912146 1123204033 /nfs/dbraw/zinc/20/40/33/1123204033.db2.gz QVZYXTVQDPAKMQ-QUCCMNQESA-N 1 3 350.506 4.185 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC4(c5ccccn5)CCC4)[C@@H]3C2)cc1 ZINC000556925574 1123226591 /nfs/dbraw/zinc/22/65/91/1123226591.db2.gz VGDWAZLWPUJYIH-BDTNDASRSA-N 1 3 361.533 4.004 20 0 FIADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc2n[nH]cc2c1 ZINC000556923529 1123232969 /nfs/dbraw/zinc/23/29/69/1123232969.db2.gz KWIJFDYDYRLPFL-DTPUHQDNSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc2n[nH]cc2c1 ZINC000556923529 1123232972 /nfs/dbraw/zinc/23/29/72/1123232972.db2.gz KWIJFDYDYRLPFL-DTPUHQDNSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccc2n[nH]cc2c1 ZINC000556923529 1123232975 /nfs/dbraw/zinc/23/29/75/1123232975.db2.gz KWIJFDYDYRLPFL-DTPUHQDNSA-N 1 3 360.505 4.124 20 0 FIADHO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000237783094 1123657140 /nfs/dbraw/zinc/65/71/40/1123657140.db2.gz OZESRWCPGLZNJT-QSNWEANLSA-N 1 3 368.521 4.302 20 0 FIADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601465 1124134096 /nfs/dbraw/zinc/13/40/96/1124134096.db2.gz MMROEJMQVDPKEK-SJLPKXTDSA-N 1 3 374.916 4.054 20 0 FIADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245601465 1124134097 /nfs/dbraw/zinc/13/40/97/1124134097.db2.gz MMROEJMQVDPKEK-SJLPKXTDSA-N 1 3 374.916 4.054 20 0 FIADHO CC(C)N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619581 1124146610 /nfs/dbraw/zinc/14/66/10/1124146610.db2.gz ZPCADMNLYRVTPB-NLCWTHGUSA-N 1 3 367.940 4.075 20 0 FIADHO CC(C)N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245619581 1124146618 /nfs/dbraw/zinc/14/66/18/1124146618.db2.gz ZPCADMNLYRVTPB-NLCWTHGUSA-N 1 3 367.940 4.075 20 0 FIADHO c1cn(-c2ccccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000245660194 1124176423 /nfs/dbraw/zinc/17/64/23/1124176423.db2.gz FNGHYUBVYGYYLZ-WBDAEOGXSA-N 1 3 372.516 4.158 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1CCCCCC1 ZINC000303718024 1124460182 /nfs/dbraw/zinc/46/01/82/1124460182.db2.gz RCGSDDWOSPZGRU-IBGZPJMESA-N 1 3 357.542 4.122 20 0 FIADHO CC(C)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248456015 1124773033 /nfs/dbraw/zinc/77/30/33/1124773033.db2.gz RVSIXBIHWINTOM-KNQAVFIVSA-N 1 3 374.475 4.018 20 0 FIADHO CC(C)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000248456015 1124773041 /nfs/dbraw/zinc/77/30/41/1124773041.db2.gz RVSIXBIHWINTOM-KNQAVFIVSA-N 1 3 374.475 4.018 20 0 FIADHO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2ccccc2s1 ZINC000249192996 1124849694 /nfs/dbraw/zinc/84/96/94/1124849694.db2.gz PBGLPAFLCDRNNL-ZYSHUDEJSA-N 1 3 358.551 4.320 20 0 FIADHO CCCN1CC[C@@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000249452143 1124858417 /nfs/dbraw/zinc/85/84/17/1124858417.db2.gz COAPLIBVVAIELN-LRDDRELGSA-N 1 3 357.361 4.283 20 0 FIADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000542942579 1124934957 /nfs/dbraw/zinc/93/49/57/1124934957.db2.gz TTXDQHJEQPUILR-UHFFFAOYSA-N 1 3 366.553 4.478 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000090525573 1125001330 /nfs/dbraw/zinc/00/13/30/1125001330.db2.gz HHWHUUWGPOANML-KYNGSXCRSA-N 1 3 370.459 4.124 20 0 FIADHO CC(C)N(C/C=C/C[N@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000064629190 1125037695 /nfs/dbraw/zinc/03/76/95/1125037695.db2.gz VSVQKLWYVHEUTJ-MDZDMXLPSA-N 1 3 352.526 4.154 20 0 FIADHO CC(C)N(C/C=C/C[N@@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000064629190 1125037705 /nfs/dbraw/zinc/03/77/05/1125037705.db2.gz VSVQKLWYVHEUTJ-MDZDMXLPSA-N 1 3 352.526 4.154 20 0 FIADHO Fc1ccc([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000091343527 1125066848 /nfs/dbraw/zinc/06/68/48/1125066848.db2.gz GPQFBWPNINIGDL-JTSKRJEESA-N 1 3 360.517 4.148 20 0 FIADHO Fc1ccc([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCC2)cc1 ZINC000091343526 1125067160 /nfs/dbraw/zinc/06/71/60/1125067160.db2.gz GPQFBWPNINIGDL-HTAPYJJXSA-N 1 3 360.517 4.148 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000182376696 1125440119 /nfs/dbraw/zinc/44/01/19/1125440119.db2.gz QSEHEKCIXZMVOZ-SCLBCKFNSA-N 1 3 352.494 4.453 20 0 FIADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376696 1125440125 /nfs/dbraw/zinc/44/01/25/1125440125.db2.gz QSEHEKCIXZMVOZ-SCLBCKFNSA-N 1 3 352.494 4.453 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CCc2nccs2)cc1CN1CCCCC1 ZINC000182694688 1125601332 /nfs/dbraw/zinc/60/13/32/1125601332.db2.gz JZTKIAMLJOJWLC-INIZCTEOSA-N 1 3 359.539 4.031 20 0 FIADHO Fc1ccc(N2CC[C@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000152765614 1125648580 /nfs/dbraw/zinc/64/85/80/1125648580.db2.gz QNWKHKQDYZTTGD-GOSISDBHSA-N 1 3 359.533 4.039 20 0 FIADHO Cc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1-c1ccccc1 ZINC000655755544 1081176154 /nfs/dbraw/zinc/17/61/54/1081176154.db2.gz DVWTVOYDIZIZDE-HSZRJFAPSA-N 1 3 364.533 4.395 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC3(CCCC3)O2)CC1 ZINC000655851245 1081259870 /nfs/dbraw/zinc/25/98/70/1081259870.db2.gz CPDTVCHVGUKXQV-SIKLNZKXSA-N 1 3 356.554 4.163 20 0 FIADHO CCSc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000547979460 1081316917 /nfs/dbraw/zinc/31/69/17/1081316917.db2.gz QYUKPSSLLQGEJC-PXNSSMCTSA-N 1 3 355.551 4.194 20 0 FIADHO CC(C)Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397623153 1081328104 /nfs/dbraw/zinc/32/81/04/1081328104.db2.gz WYEZPKMUZVJEEW-UHFFFAOYSA-N 1 3 366.549 4.002 20 0 FIADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC001648898390 1081355028 /nfs/dbraw/zinc/35/50/28/1081355028.db2.gz MVCNHOMQZPYUPP-LJQANCHMSA-N 1 3 369.528 4.079 20 0 FIADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)CC3 ZINC000123347499 1081473586 /nfs/dbraw/zinc/47/35/86/1081473586.db2.gz FGWRWBWUJMDOPI-KRWDZBQOSA-N 1 3 367.537 4.030 20 0 FIADHO Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483651 1081970683 /nfs/dbraw/zinc/97/06/83/1081970683.db2.gz OPBCYJSMHOUWQX-CTNGQTDRSA-N 1 3 351.494 4.098 20 0 FIADHO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000580483651 1081970687 /nfs/dbraw/zinc/97/06/87/1081970687.db2.gz OPBCYJSMHOUWQX-CTNGQTDRSA-N 1 3 351.494 4.098 20 0 FIADHO COc1ccsc1[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000471613956 1082098955 /nfs/dbraw/zinc/09/89/55/1082098955.db2.gz SRKXUHDMKNVTQW-SFHVURJKSA-N 1 3 373.566 4.010 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N1CCCCCC1 ZINC000510389888 1082477559 /nfs/dbraw/zinc/47/75/59/1082477559.db2.gz UHKABTCRXCCKQB-RBUKOAKNSA-N 1 3 357.542 4.264 20 0 FIADHO C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N1CCCCCC1 ZINC000510389888 1082477560 /nfs/dbraw/zinc/47/75/60/1082477560.db2.gz UHKABTCRXCCKQB-RBUKOAKNSA-N 1 3 357.542 4.264 20 0 FIADHO CO[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000684378135 1082793799 /nfs/dbraw/zinc/79/37/99/1082793799.db2.gz ZBNCPVHJRHBYKW-RTBURBONSA-N 1 3 350.934 4.099 20 0 FIADHO C[NH+](C)CCC1CCN(Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891776224 1083145263 /nfs/dbraw/zinc/14/52/63/1083145263.db2.gz XXTKSNKIWINFKQ-UHFFFAOYSA-N 1 3 367.559 4.259 20 0 FIADHO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000510748415 1083292368 /nfs/dbraw/zinc/29/23/68/1083292368.db2.gz IEUDDIOAANQOLM-LJQANCHMSA-N 1 3 363.343 4.433 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C3(CCC3)C2)cc1 ZINC000658318716 1083406846 /nfs/dbraw/zinc/40/68/46/1083406846.db2.gz SJLVZDQOFSVSEW-FCHUYYIVSA-N 1 3 361.533 4.351 20 0 FIADHO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483455 1083468439 /nfs/dbraw/zinc/46/84/39/1083468439.db2.gz NWTPQWMMTMQUPL-HKUYNNGSSA-N 1 3 371.594 4.483 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000414106883 1084579511 /nfs/dbraw/zinc/57/95/11/1084579511.db2.gz YARHSHDONTXDKO-FGTMMUONSA-N 1 3 373.566 4.350 20 0 FIADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000072085636 1084655297 /nfs/dbraw/zinc/65/52/97/1084655297.db2.gz BCVFGDZCVQNRNK-OALUTQOASA-N 1 3 352.522 4.161 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000472584093 1085049082 /nfs/dbraw/zinc/04/90/82/1085049082.db2.gz GOVNTAOTMZVGSZ-XWDDPXMASA-N 1 3 369.597 4.361 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000472584093 1085049088 /nfs/dbraw/zinc/04/90/88/1085049088.db2.gz GOVNTAOTMZVGSZ-XWDDPXMASA-N 1 3 369.597 4.361 20 0 FIADHO CC[N@@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174400 1086351164 /nfs/dbraw/zinc/35/11/64/1086351164.db2.gz AWZXJHNAOQRLAK-DEYMUQAISA-N 1 3 352.469 4.353 20 0 FIADHO CC[N@H+]1CC[C@H](N(C)C/C(C)=C/c2ccccc2OC(F)F)[C@H](C)C1 ZINC000583174400 1086351173 /nfs/dbraw/zinc/35/11/73/1086351173.db2.gz AWZXJHNAOQRLAK-DEYMUQAISA-N 1 3 352.469 4.353 20 0 FIADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000467748302 1086604986 /nfs/dbraw/zinc/60/49/86/1086604986.db2.gz XVRWNNPQISIRJQ-LBPRGKRZSA-N 1 3 370.444 4.124 20 0 FIADHO C[C@@H]1C[N@H+](CCCNCc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348009 1086645503 /nfs/dbraw/zinc/64/55/03/1086645503.db2.gz POILDFGTXYENFY-MRXNPFEDSA-N 1 3 362.514 4.145 20 0 FIADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccc(F)cc3)s2)CCCO1 ZINC000432348009 1086645508 /nfs/dbraw/zinc/64/55/08/1086645508.db2.gz POILDFGTXYENFY-MRXNPFEDSA-N 1 3 362.514 4.145 20 0 FIADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000150979672 1086663079 /nfs/dbraw/zinc/66/30/79/1086663079.db2.gz KXNVVISUWFNVBR-OAHLLOKOSA-N 1 3 373.522 4.003 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000583456811 1086700903 /nfs/dbraw/zinc/70/09/03/1086700903.db2.gz ZWMQYRXFGQDGHF-HTUFRPJOSA-N 1 3 368.565 4.224 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000650757984 1086971451 /nfs/dbraw/zinc/97/14/51/1086971451.db2.gz GBLIOJZXIIJULW-CQSZACIVSA-N 1 3 352.507 4.084 20 0 FIADHO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000151356765 1087094471 /nfs/dbraw/zinc/09/44/71/1087094471.db2.gz UQGNCACAKYQVQH-LLVKDONJSA-N 1 3 365.732 4.144 20 0 FIADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H]2CCCn3nccc32)cc1 ZINC000657832377 1087198912 /nfs/dbraw/zinc/19/89/12/1087198912.db2.gz JFQVJGUCZLIDNY-QFIPXVFZSA-N 1 3 360.505 4.236 20 0 FIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000584378425 1087313349 /nfs/dbraw/zinc/31/33/49/1087313349.db2.gz JKEMZOMKHQTEEX-UNMCSNQZSA-N 1 3 350.506 4.278 20 0 FIADHO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000584378425 1087313353 /nfs/dbraw/zinc/31/33/53/1087313353.db2.gz JKEMZOMKHQTEEX-UNMCSNQZSA-N 1 3 350.506 4.278 20 0 FIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCc2nc3ccccc3n2C)CC1 ZINC000090050254 1087401270 /nfs/dbraw/zinc/40/12/70/1087401270.db2.gz VRGQPLYWPORKMW-NQIIRXRSSA-N 1 3 368.569 4.139 20 0 FIADHO CN(Cc1cc(-c2ccccc2)cs1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457895 1087573046 /nfs/dbraw/zinc/57/30/46/1087573046.db2.gz RSHSOVGWNIQBJY-OAQYLSRUSA-N 1 3 369.578 4.015 20 0 FIADHO CN(Cc1cc(-c2ccccc2)cs1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457895 1087573047 /nfs/dbraw/zinc/57/30/47/1087573047.db2.gz RSHSOVGWNIQBJY-OAQYLSRUSA-N 1 3 369.578 4.015 20 0 FIADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2noc3ccccc32)CC1 ZINC000658065608 1087705453 /nfs/dbraw/zinc/70/54/53/1087705453.db2.gz RSWKYMQFHAUVBK-GOSISDBHSA-N 1 3 363.505 4.056 20 0 FIADHO O[C@H]1CC[N@H+](Cc2ccc(CNC3c4ccccc4-c4ccccc43)cc2)C1 ZINC000658138384 1087743520 /nfs/dbraw/zinc/74/35/20/1087743520.db2.gz MRFJWKSSRJURMO-FQEVSTJZSA-N 1 3 370.496 4.113 20 0 FIADHO O[C@H]1CC[N@@H+](Cc2ccc(CNC3c4ccccc4-c4ccccc43)cc2)C1 ZINC000658138384 1087743537 /nfs/dbraw/zinc/74/35/37/1087743537.db2.gz MRFJWKSSRJURMO-FQEVSTJZSA-N 1 3 370.496 4.113 20 0 FIADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(C)c1F ZINC000658164490 1087759841 /nfs/dbraw/zinc/75/98/41/1087759841.db2.gz DTNHLIUVOUIUSP-SFHVURJKSA-N 1 3 355.501 4.400 20 0 FIADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165003 1087760163 /nfs/dbraw/zinc/76/01/63/1087760163.db2.gz HCHQMYXHMPEOAN-QFIPXVFZSA-N 1 3 353.485 4.100 20 0 FIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658164894 1087760182 /nfs/dbraw/zinc/76/01/82/1087760182.db2.gz GMTPSDBNDORTIZ-LJQANCHMSA-N 1 3 367.537 4.432 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc2c(s1)CCC2 ZINC000658166263 1087761783 /nfs/dbraw/zinc/76/17/83/1087761783.db2.gz NLUVNLILHAAEAZ-INIZCTEOSA-N 1 3 355.551 4.195 20 0 FIADHO Cc1nc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)oc1-c1ccc(Cl)cc1 ZINC000424285563 1087897403 /nfs/dbraw/zinc/89/74/03/1087897403.db2.gz FUIZDTCXDUUAPU-CQSZACIVSA-N 1 3 359.901 4.267 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000163558256 1088209820 /nfs/dbraw/zinc/20/98/20/1088209820.db2.gz INUUZNMBMPZSOD-CRICUBBOSA-N 1 3 358.551 4.117 20 0 FIADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000415046864 1089093275 /nfs/dbraw/zinc/09/32/75/1089093275.db2.gz VLDICKKDPIPOLS-BXUZGUMPSA-N 1 3 355.429 4.046 20 0 FIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415093549 1089158019 /nfs/dbraw/zinc/15/80/19/1089158019.db2.gz VQZAIBHIQZDOMP-NOOVBMIQSA-N 1 3 358.913 4.499 20 0 FIADHO C[C@@H]1CC(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000549236935 1089311106 /nfs/dbraw/zinc/31/11/06/1089311106.db2.gz IQBLJMBOHYODJC-JTPPEQCGSA-N 1 3 356.554 4.080 20 0 FIADHO C[C@H](CCNCc1ccccc1-c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000511523971 1089396609 /nfs/dbraw/zinc/39/66/09/1089396609.db2.gz PYTGEKUEAIKOFV-LJQANCHMSA-N 1 3 362.521 4.087 20 0 FIADHO C[C@H](CCNCc1ccccc1-c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000511523971 1089396630 /nfs/dbraw/zinc/39/66/30/1089396630.db2.gz PYTGEKUEAIKOFV-LJQANCHMSA-N 1 3 362.521 4.087 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366506 1090625849 /nfs/dbraw/zinc/62/58/49/1090625849.db2.gz AJEKEVHFDFVFEF-TZIWHRDSSA-N 1 3 360.505 4.045 20 0 FIADHO Cc1ccncc1CCC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000584871324 1090962225 /nfs/dbraw/zinc/96/22/25/1090962225.db2.gz SPDCCLGFZGTDSX-JOCHJYFZSA-N 1 3 351.538 4.215 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000500086388 1091032091 /nfs/dbraw/zinc/03/20/91/1091032091.db2.gz DIMRNMCZZCWKEW-SFHVURJKSA-N 1 3 363.977 4.282 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000500086388 1091032100 /nfs/dbraw/zinc/03/21/00/1091032100.db2.gz DIMRNMCZZCWKEW-SFHVURJKSA-N 1 3 363.977 4.282 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)CCN1C ZINC000390519711 1091162920 /nfs/dbraw/zinc/16/29/20/1091162920.db2.gz FSMVHZYGHNLXAZ-ZJSXRUAMSA-N 1 3 365.565 4.151 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc4occc4c3)cc2)CC1 ZINC000512374113 1092185793 /nfs/dbraw/zinc/18/57/93/1092185793.db2.gz DMBAHNFGHHUAEE-UHFFFAOYSA-N 1 3 350.462 4.196 20 0 FIADHO COC(=O)c1cc([C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)oc1C ZINC000432781797 1092348999 /nfs/dbraw/zinc/34/89/99/1092348999.db2.gz TWVZWXLJZYAIKV-INIZCTEOSA-N 1 3 362.514 4.024 20 0 FIADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442878374 1092834213 /nfs/dbraw/zinc/83/42/13/1092834213.db2.gz STOBOLKHNKLYSG-SFHVURJKSA-N 1 3 371.491 4.018 20 0 FIADHO CN1CCN(CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1(C)C ZINC000442880700 1092834995 /nfs/dbraw/zinc/83/49/95/1092834995.db2.gz ZHOFOTARKUVBCH-GOSISDBHSA-N 1 3 370.368 4.060 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3cc(OC)ccc32)[C@H](C)C1 ZINC000474039339 1092845138 /nfs/dbraw/zinc/84/51/38/1092845138.db2.gz SUHTWKDLPUXYCF-VOQZNFBZSA-N 1 3 374.569 4.144 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3cc(OC)ccc32)[C@H](C)C1 ZINC000474039339 1092845143 /nfs/dbraw/zinc/84/51/43/1092845143.db2.gz SUHTWKDLPUXYCF-VOQZNFBZSA-N 1 3 374.569 4.144 20 0 FIADHO C[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443218578 1092994277 /nfs/dbraw/zinc/99/42/77/1092994277.db2.gz FUEJLIUWRMUSMJ-BBWFWOEESA-N 1 3 354.498 4.266 20 0 FIADHO C[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000443218581 1092994329 /nfs/dbraw/zinc/99/43/29/1092994329.db2.gz FUEJLIUWRMUSMJ-BRWVUGGUSA-N 1 3 354.498 4.266 20 0 FIADHO CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cs1 ZINC000512636276 1093053322 /nfs/dbraw/zinc/05/33/22/1093053322.db2.gz KWGPJIKUDMDHPD-HMXCVIKNSA-N 1 3 369.578 4.138 20 0 FIADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512660444 1093096248 /nfs/dbraw/zinc/09/62/48/1093096248.db2.gz NGNBYEBUKUSXJH-BHIFYINESA-N 1 3 358.570 4.066 20 0 FIADHO CC(C)c1nc([C@@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000469775145 1093122083 /nfs/dbraw/zinc/12/20/83/1093122083.db2.gz JILAMHVODXTTKL-MRXNPFEDSA-N 1 3 361.555 4.100 20 0 FIADHO CCCc1nc(C)c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000433051070 1093159301 /nfs/dbraw/zinc/15/93/01/1093159301.db2.gz FVYQJVRNVUDREH-UHFFFAOYSA-N 1 3 367.537 4.424 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)[C@H](C)C1 ZINC000469789832 1093343743 /nfs/dbraw/zinc/34/37/43/1093343743.db2.gz ZXBVJITWILYULD-APWZRJJASA-N 1 3 370.990 4.159 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCCSc2ccc(Cl)cc2)[C@H](C)C1 ZINC000469789832 1093343751 /nfs/dbraw/zinc/34/37/51/1093343751.db2.gz ZXBVJITWILYULD-APWZRJJASA-N 1 3 370.990 4.159 20 0 FIADHO COc1ccc(C[NH2+]C2CCN(Cc3ccccc3C)CC2)c(Cl)c1 ZINC000512826637 1093404328 /nfs/dbraw/zinc/40/43/28/1093404328.db2.gz HXOAMAYWCVNSSG-UHFFFAOYSA-N 1 3 358.913 4.411 20 0 FIADHO C[C@@H](CN[C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000623866742 1093735578 /nfs/dbraw/zinc/73/55/78/1093735578.db2.gz DSIGKMYCGSYVJC-STQMWFEESA-N 1 3 363.855 4.006 20 0 FIADHO C[C@@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN1CCCC1 ZINC000623866742 1093735586 /nfs/dbraw/zinc/73/55/86/1093735586.db2.gz DSIGKMYCGSYVJC-STQMWFEESA-N 1 3 363.855 4.006 20 0 FIADHO N[C@H](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000178818013 1093770467 /nfs/dbraw/zinc/77/04/67/1093770467.db2.gz RRQRSLSIDVNWGD-OAQYLSRUSA-N 1 3 351.494 4.091 20 0 FIADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000513643119 1094259283 /nfs/dbraw/zinc/25/92/83/1094259283.db2.gz NAPKGTRBSQLLQY-UHFFFAOYSA-N 1 3 365.565 4.021 20 0 FIADHO C[C@@H]1CC(NCC2(c3ncccc3F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037341 1094366440 /nfs/dbraw/zinc/36/64/40/1094366440.db2.gz ZXPAJLBDOLPXRS-QZTJIDSGSA-N 1 3 367.512 4.284 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474598667 1094395635 /nfs/dbraw/zinc/39/56/35/1094395635.db2.gz JMFPOSFWRJXFDQ-OVYGPGRDSA-N 1 3 370.990 4.373 20 0 FIADHO Cc1c2ccccc2oc1[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC000501049329 1094456355 /nfs/dbraw/zinc/45/63/55/1094456355.db2.gz BPLWJBDSYDGEMA-QFIPXVFZSA-N 1 3 371.569 4.444 20 0 FIADHO CC[C@H](C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(Cl)cc1 ZINC000501055092 1094467096 /nfs/dbraw/zinc/46/70/96/1094467096.db2.gz PZWPCXBCPGFBBL-RXVVDRJESA-N 1 3 365.993 4.433 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1OC ZINC000474793555 1094629516 /nfs/dbraw/zinc/62/95/16/1094629516.db2.gz DWCVPUAYNLHXEP-SJORKVTESA-N 1 3 360.542 4.192 20 0 FIADHO CCc1cc(OC)ccc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000501485507 1094736541 /nfs/dbraw/zinc/73/65/41/1094736541.db2.gz YXYLKDICEKVLKM-UHFFFAOYSA-N 1 3 368.521 4.022 20 0 FIADHO Cc1nc([C@H](C)N2CCC3(CC[NH2+]C3)CC2)oc1-c1ccc(Cl)cc1 ZINC000420345128 1094887774 /nfs/dbraw/zinc/88/77/74/1094887774.db2.gz VIPMKTZJAGSLAK-HNNXBMFYSA-N 1 3 359.901 4.440 20 0 FIADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000420398934 1094912922 /nfs/dbraw/zinc/91/29/22/1094912922.db2.gz ZMAFOMFOVCKPLC-GOEBONIOSA-N 1 3 364.942 4.273 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC ZINC000474923313 1094923326 /nfs/dbraw/zinc/92/33/26/1094923326.db2.gz GABBJTKOLCPADY-AJYBTWMASA-N 1 3 374.569 4.438 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000501982845 1095034948 /nfs/dbraw/zinc/03/49/48/1095034948.db2.gz VYRUBZVJKBXKCM-WXFUMESZSA-N 1 3 369.597 4.061 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000501982845 1095034963 /nfs/dbraw/zinc/03/49/63/1095034963.db2.gz VYRUBZVJKBXKCM-WXFUMESZSA-N 1 3 369.597 4.061 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000522551455 1095134038 /nfs/dbraw/zinc/13/40/38/1095134038.db2.gz JBOGHZBVTSFAQJ-CTNGQTDRSA-N 1 3 351.538 4.003 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551455 1095134051 /nfs/dbraw/zinc/13/40/51/1095134051.db2.gz JBOGHZBVTSFAQJ-CTNGQTDRSA-N 1 3 351.538 4.003 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000522551458 1095135532 /nfs/dbraw/zinc/13/55/32/1095135532.db2.gz JBOGHZBVTSFAQJ-TZIWHRDSSA-N 1 3 351.538 4.003 20 0 FIADHO C[C@H](c1cccc2ccccc21)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551458 1095135537 /nfs/dbraw/zinc/13/55/37/1095135537.db2.gz JBOGHZBVTSFAQJ-TZIWHRDSSA-N 1 3 351.538 4.003 20 0 FIADHO c1cc2c(cccc2CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000503123199 1096075473 /nfs/dbraw/zinc/07/54/73/1096075473.db2.gz RJJXXAANOCTCBZ-SSPYTLHUSA-N 1 3 359.517 4.211 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N1[C@H](C)CC[C@H]1C ZINC000503162524 1096100818 /nfs/dbraw/zinc/10/08/18/1096100818.db2.gz VBAUMFGEYBXHRI-MKXGPGLRSA-N 1 3 357.542 4.261 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1[C@H](C)CC[C@H]1C ZINC000503162524 1096100823 /nfs/dbraw/zinc/10/08/23/1096100823.db2.gz VBAUMFGEYBXHRI-MKXGPGLRSA-N 1 3 357.542 4.261 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000422722129 1096471172 /nfs/dbraw/zinc/47/11/72/1096471172.db2.gz OWQJSDHMBPOSJL-IAGOWNOFSA-N 1 3 355.526 4.308 20 0 FIADHO CCOc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OCC ZINC000422760530 1096476083 /nfs/dbraw/zinc/47/60/83/1096476083.db2.gz QFWJWPYTLKBJCI-LSDHHAIUSA-N 1 3 357.498 4.058 20 0 FIADHO [NH3+][C@H]1C[C@H](NCC2(c3cccc(Cl)c3)CCOCC2)c2ccccc21 ZINC000422768346 1096485358 /nfs/dbraw/zinc/48/53/58/1096485358.db2.gz SYAPFYCKQAVCJG-PMACEKPBSA-N 1 3 356.897 4.123 20 0 FIADHO CSc1cccc([C@@H](N[C@@H](C)CCC[NH3+])c2cc(F)ccc2F)c1 ZINC000422785353 1096490356 /nfs/dbraw/zinc/49/03/56/1096490356.db2.gz JKTBDKCVVVSARW-ORAYPTAESA-N 1 3 350.478 4.493 20 0 FIADHO COc1ccc([C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C(C)C)cc1 ZINC000422786471 1096491390 /nfs/dbraw/zinc/49/13/90/1096491390.db2.gz OXPSXOMLTIQWRH-WWNPGLIZSA-N 1 3 366.505 4.238 20 0 FIADHO COc1cccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCCC2)c1 ZINC000422889961 1096515349 /nfs/dbraw/zinc/51/53/49/1096515349.db2.gz RARXMSIQRMRTFM-INIZCTEOSA-N 1 3 353.510 4.020 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422925097 1096526160 /nfs/dbraw/zinc/52/61/60/1096526160.db2.gz VBVHYYSJBCSRJU-SJORKVTESA-N 1 3 352.526 4.396 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422925097 1096526167 /nfs/dbraw/zinc/52/61/67/1096526167.db2.gz VBVHYYSJBCSRJU-SJORKVTESA-N 1 3 352.526 4.396 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422927345 1096526982 /nfs/dbraw/zinc/52/69/82/1096526982.db2.gz GFWUUDSXZLFIMN-NWDGAFQWSA-N 1 3 353.388 4.159 20 0 FIADHO CCCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422934568 1096529120 /nfs/dbraw/zinc/52/91/20/1096529120.db2.gz CPBASQXEYVOMFR-JKSUJKDBSA-N 1 3 371.525 4.448 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422936967 1096529198 /nfs/dbraw/zinc/52/91/98/1096529198.db2.gz NJCTZPFMTPGZIA-OLZOCXBDSA-N 1 3 351.416 4.149 20 0 FIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945649 1096535594 /nfs/dbraw/zinc/53/55/94/1096535594.db2.gz NOOIICFUAVILAO-IRFCIJBXSA-N 1 3 354.881 4.173 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423122576 1096579207 /nfs/dbraw/zinc/57/92/07/1096579207.db2.gz KAOPENDUCRXMCZ-JKSUJKDBSA-N 1 3 362.477 4.448 20 0 FIADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423129808 1096581017 /nfs/dbraw/zinc/58/10/17/1096581017.db2.gz MIZCHZCUZFBLKG-JBACZVJFSA-N 1 3 358.913 4.315 20 0 FIADHO CSc1ccc([C@@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423112053 1096586055 /nfs/dbraw/zinc/58/60/55/1096586055.db2.gz XGZVPQVDHFNTRE-VMRPVKRXSA-N 1 3 354.519 4.315 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423149847 1096587456 /nfs/dbraw/zinc/58/74/56/1096587456.db2.gz BAUPXUIFFVNKOE-OAHLLOKOSA-N 1 3 359.464 4.143 20 0 FIADHO Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000423169029 1096601148 /nfs/dbraw/zinc/60/11/48/1096601148.db2.gz IOXHKYVOQWBESD-ISKFKSNPSA-N 1 3 358.485 4.494 20 0 FIADHO CCOc1cccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000414724258 1096621691 /nfs/dbraw/zinc/62/16/91/1096621691.db2.gz RJNRXTCYIPWRQD-FQEVSTJZSA-N 1 3 356.535 4.291 20 0 FIADHO CCC(N)(CC)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423283476 1096633614 /nfs/dbraw/zinc/63/36/14/1096633614.db2.gz FGUACJDKHCDDHI-KRWDZBQOSA-N 1 3 369.347 4.024 20 0 FIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000423290670 1096634999 /nfs/dbraw/zinc/63/49/99/1096634999.db2.gz DZHXIHVMAVMLGV-VXGBXAGGSA-N 1 3 351.263 4.459 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292665 1096636050 /nfs/dbraw/zinc/63/60/50/1096636050.db2.gz NURYCSMUUFAIJF-IRXDYDNUSA-N 1 3 368.525 4.431 20 0 FIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000423452836 1096681966 /nfs/dbraw/zinc/68/19/66/1096681966.db2.gz KBNSULSYCYLBJD-UGSOOPFHSA-N 1 3 365.290 4.395 20 0 FIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000423507780 1096702381 /nfs/dbraw/zinc/70/23/81/1096702381.db2.gz QKOGOLFSIAQYQT-MGPUTAFESA-N 1 3 369.900 4.052 20 0 FIADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000423482054 1096703082 /nfs/dbraw/zinc/70/30/82/1096703082.db2.gz XONFIEMTHBGHFO-XLJIZYSNSA-N 1 3 370.512 4.309 20 0 FIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000515846350 1098978943 /nfs/dbraw/zinc/97/89/43/1098978943.db2.gz VUSQXTJGJACWER-OXJNMPFZSA-N 1 3 372.484 4.083 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCC[C@H]21 ZINC000516324645 1099370007 /nfs/dbraw/zinc/37/00/07/1099370007.db2.gz XWBHALNZIDQFTM-FUPPJEDESA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCC[C@H]21 ZINC000516324645 1099370016 /nfs/dbraw/zinc/37/00/16/1099370016.db2.gz XWBHALNZIDQFTM-FUPPJEDESA-N 1 3 374.532 4.047 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@@H]2CCC[C@H]21 ZINC000516324647 1099370688 /nfs/dbraw/zinc/37/06/88/1099370688.db2.gz XWBHALNZIDQFTM-QNWVGRARSA-N 1 3 374.532 4.047 20 0 FIADHO C[N@H+]1CC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)[C@@H]2CCC[C@H]21 ZINC000516324647 1099370698 /nfs/dbraw/zinc/37/06/98/1099370698.db2.gz XWBHALNZIDQFTM-QNWVGRARSA-N 1 3 374.532 4.047 20 0 FIADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Oc1ccc(F)cc1 ZINC000508693187 1099824250 /nfs/dbraw/zinc/82/42/50/1099824250.db2.gz AFNKZPUQHSWWJZ-QWFCFKBJSA-N 1 3 356.485 4.093 20 0 FIADHO Clc1ccc([C@H](Cc2cccnc2)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000516821830 1099849706 /nfs/dbraw/zinc/84/97/06/1099849706.db2.gz USSLRJLKRSRXCT-NRFANRHFSA-N 1 3 355.913 4.235 20 0 FIADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000516870693 1099899209 /nfs/dbraw/zinc/89/92/09/1099899209.db2.gz KVDJIISYHVGUIV-AZUAARDMSA-N 1 3 364.574 4.275 20 0 FIADHO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508711760 1099903526 /nfs/dbraw/zinc/90/35/26/1099903526.db2.gz PDVKWNNWWQQBIQ-HKUYNNGSSA-N 1 3 369.578 4.065 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000536652391 1100106035 /nfs/dbraw/zinc/10/60/35/1100106035.db2.gz CKXDYMHTYZKRKQ-UHFFFAOYSA-N 1 3 367.537 4.213 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000536652391 1100106039 /nfs/dbraw/zinc/10/60/39/1100106039.db2.gz CKXDYMHTYZKRKQ-UHFFFAOYSA-N 1 3 367.537 4.213 20 0 FIADHO COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OCC(C)C ZINC000536653012 1100107953 /nfs/dbraw/zinc/10/79/53/1100107953.db2.gz RDMVQBRNJPWCEI-UHFFFAOYSA-N 1 3 362.558 4.282 20 0 FIADHO COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OCC(C)C ZINC000536653012 1100107965 /nfs/dbraw/zinc/10/79/65/1100107965.db2.gz RDMVQBRNJPWCEI-UHFFFAOYSA-N 1 3 362.558 4.282 20 0 FIADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459394889 1100121204 /nfs/dbraw/zinc/12/12/04/1100121204.db2.gz SQTOILREUHPTDK-VAMGGRTRSA-N 1 3 362.583 4.177 20 0 FIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659684 1100130817 /nfs/dbraw/zinc/13/08/17/1100130817.db2.gz RLSRDSMMULFLMU-QUCCMNQESA-N 1 3 353.510 4.487 20 0 FIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C[C@H]1C ZINC000536659684 1100130823 /nfs/dbraw/zinc/13/08/23/1100130823.db2.gz RLSRDSMMULFLMU-QUCCMNQESA-N 1 3 353.510 4.487 20 0 FIADHO Clc1cc(Cl)c(OCCNC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000459423807 1100154191 /nfs/dbraw/zinc/15/41/91/1100154191.db2.gz JOLZRZPKQKSXOE-UHFFFAOYSA-N 1 3 363.716 4.242 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cc1OC ZINC000379625509 1100222548 /nfs/dbraw/zinc/22/25/48/1100222548.db2.gz FTKGDRYMPCTUHC-ROUUACIJSA-N 1 3 356.510 4.265 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@H]4CC[N@H+](C)C[C@@H]4C)cc3)ccc2O1 ZINC000536838072 1100349007 /nfs/dbraw/zinc/34/90/07/1100349007.db2.gz GNOJDLTZNSUSCX-JKSBSHDWSA-N 1 3 350.506 4.107 20 0 FIADHO C[C@@H]1Cc2cc(-c3ccc(CN[C@H]4CC[N@@H+](C)C[C@@H]4C)cc3)ccc2O1 ZINC000536838072 1100349021 /nfs/dbraw/zinc/34/90/21/1100349021.db2.gz GNOJDLTZNSUSCX-JKSBSHDWSA-N 1 3 350.506 4.107 20 0 FIADHO CCSc1ccccc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536858605 1100374351 /nfs/dbraw/zinc/37/43/51/1100374351.db2.gz QZTWFYIBZIMBPR-FGTMMUONSA-N 1 3 350.572 4.339 20 0 FIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000536876209 1100398532 /nfs/dbraw/zinc/39/85/32/1100398532.db2.gz JRZLERCWJOQMIT-KRWDZBQOSA-N 1 3 369.322 4.428 20 0 FIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000426031406 1100682712 /nfs/dbraw/zinc/68/27/12/1100682712.db2.gz RSTBAUQQBMLUJQ-NJYVYQBISA-N 1 3 357.929 4.481 20 0 FIADHO COc1ccc(CC[C@@H](C)N[C@H](C[NH3+])c2ccc3ccccc3c2)cc1O ZINC000414938967 1100839395 /nfs/dbraw/zinc/83/93/95/1100839395.db2.gz IWPXLVGBMRVEAW-IIBYNOLFSA-N 1 3 364.489 4.165 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@@H+]1C ZINC000426335907 1101300635 /nfs/dbraw/zinc/30/06/35/1101300635.db2.gz RFHJRMKVVDLTLU-VMGRFDJRSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1C[C@H](N[C@H]2c3cc(Br)ccc3CC2(C)C)CC[N@H+]1C ZINC000426335907 1101300644 /nfs/dbraw/zinc/30/06/44/1101300644.db2.gz RFHJRMKVVDLTLU-VMGRFDJRSA-N 1 3 351.332 4.145 20 0 FIADHO C[C@@H]1CCC[N@H+](CCCCNCc2cc(Br)ccc2F)C1 ZINC000518763533 1101518408 /nfs/dbraw/zinc/51/84/08/1101518408.db2.gz UCCIDDZCUXABLI-CQSZACIVSA-N 1 3 357.311 4.190 20 0 FIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cc(Br)ccc2F)C1 ZINC000518763533 1101518423 /nfs/dbraw/zinc/51/84/23/1101518423.db2.gz UCCIDDZCUXABLI-CQSZACIVSA-N 1 3 357.311 4.190 20 0 FIADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000537306040 1101631256 /nfs/dbraw/zinc/63/12/56/1101631256.db2.gz BRPKJBGZDZIRBI-NDXORKPFSA-N 1 3 370.537 4.414 20 0 FIADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000519189553 1101997388 /nfs/dbraw/zinc/99/73/88/1101997388.db2.gz DJYYZIVJQXDJFF-MZYLBHOOSA-N 1 3 370.581 4.474 20 0 FIADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183385 1102084165 /nfs/dbraw/zinc/08/41/65/1102084165.db2.gz PYWVTJBANDYGPH-WIYYLYMNSA-N 1 3 364.961 4.094 20 0 FIADHO CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H](C)Cc3ccc(Cl)cc3)C2)C1 ZINC001168183385 1102084176 /nfs/dbraw/zinc/08/41/76/1102084176.db2.gz PYWVTJBANDYGPH-WIYYLYMNSA-N 1 3 364.961 4.094 20 0 FIADHO C[C@H](CCCC[NH3+])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000415020834 1102263611 /nfs/dbraw/zinc/26/36/11/1102263611.db2.gz XTAFVHBVLCKEAX-GFCCVEGCSA-N 1 3 357.445 4.436 20 0 FIADHO Cn1cc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783438 1102295849 /nfs/dbraw/zinc/29/58/49/1102295849.db2.gz ZXDJQUTWBRFZLD-YADHBBJMSA-N 1 3 360.505 4.012 20 0 FIADHO Cn1cc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000550783438 1102295856 /nfs/dbraw/zinc/29/58/56/1102295856.db2.gz ZXDJQUTWBRFZLD-YADHBBJMSA-N 1 3 360.505 4.012 20 0 FIADHO CCCCOc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1OC ZINC000532475931 1102411579 /nfs/dbraw/zinc/41/15/79/1102411579.db2.gz RLOSJQQJWADVTN-KRWDZBQOSA-N 1 3 360.542 4.399 20 0 FIADHO CCCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1OC ZINC000532475932 1102411839 /nfs/dbraw/zinc/41/18/39/1102411839.db2.gz RLOSJQQJWADVTN-QGZVFWFLSA-N 1 3 360.542 4.399 20 0 FIADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCc1ccccc1 ZINC000506850294 1102578121 /nfs/dbraw/zinc/57/81/21/1102578121.db2.gz FUSJXRVMACAURK-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccn1 ZINC000550885011 1102656495 /nfs/dbraw/zinc/65/64/95/1102656495.db2.gz BCHDUIVSWYMRGK-GOSISDBHSA-N 1 3 353.510 4.173 20 0 FIADHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1Oc1cccnc1 ZINC000506866402 1102917950 /nfs/dbraw/zinc/91/79/50/1102917950.db2.gz IHABBIVPWQTMEP-UHFFFAOYSA-N 1 3 365.521 4.490 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551175391 1102948907 /nfs/dbraw/zinc/94/89/07/1102948907.db2.gz IGXVCXLKQKSYQB-QMMLZNLJSA-N 1 3 354.469 4.247 20 0 FIADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551175391 1102948910 /nfs/dbraw/zinc/94/89/10/1102948910.db2.gz IGXVCXLKQKSYQB-QMMLZNLJSA-N 1 3 354.469 4.247 20 0 FIADHO COCCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197584 1102975162 /nfs/dbraw/zinc/97/51/62/1102975162.db2.gz GHHDWMFXPPYETF-GMAHTHKFSA-N 1 3 368.521 4.027 20 0 FIADHO COCCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551197584 1102975165 /nfs/dbraw/zinc/97/51/65/1102975165.db2.gz GHHDWMFXPPYETF-GMAHTHKFSA-N 1 3 368.521 4.027 20 0 FIADHO COCCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197580 1102975416 /nfs/dbraw/zinc/97/54/16/1102975416.db2.gz GHHDWMFXPPYETF-FYYLOGMGSA-N 1 3 368.521 4.027 20 0 FIADHO COCCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551197580 1102975420 /nfs/dbraw/zinc/97/54/20/1102975420.db2.gz GHHDWMFXPPYETF-FYYLOGMGSA-N 1 3 368.521 4.027 20 0 FIADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(Cl)s3)cc2)CC1 ZINC000551569614 1103374406 /nfs/dbraw/zinc/37/44/06/1103374406.db2.gz UAUDYIZDERCUNI-UHFFFAOYSA-N 1 3 350.915 4.164 20 0 FIADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCc4ccc5ccccc5n4)[C@H]3C2)cc1 ZINC000507519020 1103463957 /nfs/dbraw/zinc/46/39/57/1103463957.db2.gz GQZBXBDWPMVYMT-UMXIMWEHSA-N 1 3 371.528 4.278 20 0 FIADHO COC[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000538206174 1104048642 /nfs/dbraw/zinc/04/86/42/1104048642.db2.gz GZSSZVKAYYMOIN-FTRWYGJKSA-N 1 3 354.485 4.000 20 0 FIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000538305436 1104126574 /nfs/dbraw/zinc/12/65/74/1104126574.db2.gz SZOYQYMZUJKQME-SFHVURJKSA-N 1 3 360.590 4.194 20 0 FIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000538305436 1104126579 /nfs/dbraw/zinc/12/65/79/1104126579.db2.gz SZOYQYMZUJKQME-SFHVURJKSA-N 1 3 360.590 4.194 20 0 FIADHO COc1ccccc1/C=C/CNCc1ccccc1C[NH+]1CCCCC1 ZINC000520210392 1104177290 /nfs/dbraw/zinc/17/72/90/1104177290.db2.gz LUYLQKOQQNQXOK-UKTHLTGXSA-N 1 3 350.506 4.484 20 0 FIADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000520343992 1104284871 /nfs/dbraw/zinc/28/48/71/1104284871.db2.gz SRLYFAANSNFWQJ-PZJWPPBQSA-N 1 3 358.570 4.330 20 0 FIADHO Clc1ccc(SCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397526 1104329675 /nfs/dbraw/zinc/32/96/75/1104329675.db2.gz WSNYSMXVGLJFSA-DNVCBOLYSA-N 1 3 350.959 4.381 20 0 FIADHO Clc1ccc(SCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397526 1104329686 /nfs/dbraw/zinc/32/96/86/1104329686.db2.gz WSNYSMXVGLJFSA-DNVCBOLYSA-N 1 3 350.959 4.381 20 0 FIADHO CC(C)c1ccc2c(c1)[C@@H](NCC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000536424001 1104928044 /nfs/dbraw/zinc/92/80/44/1104928044.db2.gz KKDPNRGAYCXRTJ-QFIPXVFZSA-N 1 3 356.554 4.422 20 0 FIADHO COc1cccc(C[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)c1 ZINC001168003024 1104993868 /nfs/dbraw/zinc/99/38/68/1104993868.db2.gz ILCQRFFVRASRBX-JYEDNEFCSA-N 1 3 368.565 4.355 20 0 FIADHO COc1cccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)c1 ZINC001168003024 1104993870 /nfs/dbraw/zinc/99/38/70/1104993870.db2.gz ILCQRFFVRASRBX-JYEDNEFCSA-N 1 3 368.565 4.355 20 0 FIADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OCc1ccccc1 ZINC000152404250 1105087374 /nfs/dbraw/zinc/08/73/74/1105087374.db2.gz VEFFDCGSLILGOV-QUCCMNQESA-N 1 3 350.506 4.401 20 0 FIADHO CCc1noc(C)c1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536484414 1105164708 /nfs/dbraw/zinc/16/47/08/1105164708.db2.gz COEHKAQHPXLEOR-UHFFFAOYSA-N 1 3 353.510 4.034 20 0 FIADHO CCc1noc(C)c1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484414 1105164709 /nfs/dbraw/zinc/16/47/09/1105164709.db2.gz COEHKAQHPXLEOR-UHFFFAOYSA-N 1 3 353.510 4.034 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000508204652 1105358540 /nfs/dbraw/zinc/35/85/40/1105358540.db2.gz IHDBRZNQAMWRHO-XWSJACJDSA-N 1 3 357.542 4.118 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000508204652 1105358548 /nfs/dbraw/zinc/35/85/48/1105358548.db2.gz IHDBRZNQAMWRHO-XWSJACJDSA-N 1 3 357.542 4.118 20 0 FIADHO N[C@@H]1C[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c2ccccc21 ZINC000530209563 1106913442 /nfs/dbraw/zinc/91/34/42/1106913442.db2.gz IQJYJOGXNSFYNN-WOJBJXKFSA-N 1 3 366.509 4.127 20 0 FIADHO Clc1ccc(N2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)c(Cl)c1 ZINC000530440648 1107042204 /nfs/dbraw/zinc/04/22/04/1107042204.db2.gz CWGODASZHZPYPI-QGZVFWFLSA-N 1 3 368.352 4.036 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152434100 1107436805 /nfs/dbraw/zinc/43/68/05/1107436805.db2.gz KZVGBAQAQQCUGX-FDDCHVKYSA-N 1 3 368.496 4.192 20 0 FIADHO COc1ccc([C@@H](Cc2ccc(F)cc2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152434100 1107436812 /nfs/dbraw/zinc/43/68/12/1107436812.db2.gz KZVGBAQAQQCUGX-FDDCHVKYSA-N 1 3 368.496 4.192 20 0 FIADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453164079 1108234646 /nfs/dbraw/zinc/23/46/46/1108234646.db2.gz QQDZWZGEDVSFGY-NJDAHSKKSA-N 1 3 362.945 4.149 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000453388514 1108473778 /nfs/dbraw/zinc/47/37/78/1108473778.db2.gz WOFFGNZOKRUJKD-PGRDOPGGSA-N 1 3 360.542 4.101 20 0 FIADHO CCN(CC)Cc1cc([C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1OC ZINC000453388514 1108473783 /nfs/dbraw/zinc/47/37/83/1108473783.db2.gz WOFFGNZOKRUJKD-PGRDOPGGSA-N 1 3 360.542 4.101 20 0 FIADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000524812107 1109161570 /nfs/dbraw/zinc/16/15/70/1109161570.db2.gz OMWYUTXFAYSGLR-RTBURBONSA-N 1 3 352.522 4.161 20 0 FIADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000525183662 1109294120 /nfs/dbraw/zinc/29/41/20/1109294120.db2.gz POMDXMLDXBYDKJ-UHFFFAOYSA-N 1 3 360.461 4.078 20 0 FIADHO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000525183662 1109294126 /nfs/dbraw/zinc/29/41/26/1109294126.db2.gz POMDXMLDXBYDKJ-UHFFFAOYSA-N 1 3 360.461 4.078 20 0 FIADHO C[N@H+]1CC=C(CN[C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446938447 1109396099 /nfs/dbraw/zinc/39/60/99/1109396099.db2.gz ISHVNTZDOPYZPA-KRWDZBQOSA-N 1 3 369.734 4.405 20 0 FIADHO C[N@@H+]1CC=C(CN[C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446938447 1109396101 /nfs/dbraw/zinc/39/61/01/1109396101.db2.gz ISHVNTZDOPYZPA-KRWDZBQOSA-N 1 3 369.734 4.405 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000508605164 1109605531 /nfs/dbraw/zinc/60/55/31/1109605531.db2.gz RXVRMVURJYRYFV-OTWHNJEPSA-N 1 3 357.542 4.118 20 0 FIADHO FC(F)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000527518672 1109772809 /nfs/dbraw/zinc/77/28/09/1109772809.db2.gz HWHCRDIOXPPBMD-UHFFFAOYSA-N 1 3 360.448 4.389 20 0 FIADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527854869 1109839823 /nfs/dbraw/zinc/83/98/23/1109839823.db2.gz WLVMJOWDASDDET-FQEVSTJZSA-N 1 3 362.876 4.197 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)cc1CN1CCCCC1 ZINC000527933527 1109870316 /nfs/dbraw/zinc/87/03/16/1109870316.db2.gz VMAZYFUVVTWXTR-RTBURBONSA-N 1 3 360.542 4.148 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2ccc3ccccc3n2)CC1 ZINC000449108493 1109977241 /nfs/dbraw/zinc/97/72/41/1109977241.db2.gz RFCPHMKEAURNSN-FQEVSTJZSA-N 1 3 373.544 4.463 20 0 FIADHO CCCN1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449092103 1109978819 /nfs/dbraw/zinc/97/88/19/1109978819.db2.gz LHGMOZBZCZCZFW-VQCLRJIVSA-N 1 3 369.322 4.156 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449130413 1109981736 /nfs/dbraw/zinc/98/17/36/1109981736.db2.gz YWZZVBVAHBBZOM-IBGZPJMESA-N 1 3 362.945 4.243 20 0 FIADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccnn1C1CCCC1 ZINC000449180885 1109993317 /nfs/dbraw/zinc/99/33/17/1109993317.db2.gz CUBKMISBFRGAPL-OALUTQOASA-N 1 3 366.553 4.244 20 0 FIADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342833 1110034687 /nfs/dbraw/zinc/03/46/87/1110034687.db2.gz FPURWCPKRWRPQF-YADHBBJMSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000449478403 1110085210 /nfs/dbraw/zinc/08/52/10/1110085210.db2.gz KCKOWOICXAGURL-LDVJMBRRSA-N 1 3 368.565 4.226 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000538407274 1111118491 /nfs/dbraw/zinc/11/84/91/1111118491.db2.gz RXIUVMBSKVPOFR-JTSKRJEESA-N 1 3 356.485 4.156 20 0 FIADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000538409033 1111129811 /nfs/dbraw/zinc/12/98/11/1111129811.db2.gz AUTFZFKDQKJTMX-RJGXRXQPSA-N 1 3 356.554 4.275 20 0 FIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746665 1111278971 /nfs/dbraw/zinc/27/89/71/1111278971.db2.gz RCVVIQFBZDPNJC-DXIQSLLYSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1N(C)C ZINC000538746665 1111278977 /nfs/dbraw/zinc/27/89/77/1111278977.db2.gz RCVVIQFBZDPNJC-DXIQSLLYSA-N 1 3 351.538 4.314 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760860 1111289915 /nfs/dbraw/zinc/28/99/15/1111289915.db2.gz PYLPLXBOFURGAH-ZWKOTPCHSA-N 1 3 357.567 4.377 20 0 FIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1N(C)C ZINC000538760860 1111289918 /nfs/dbraw/zinc/28/99/18/1111289918.db2.gz PYLPLXBOFURGAH-ZWKOTPCHSA-N 1 3 357.567 4.377 20 0 FIADHO Oc1cccc(-c2ccc([C@H]3C[C@@H]3NC3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC001168359659 1111316938 /nfs/dbraw/zinc/31/69/38/1111316938.db2.gz DPUAAIPOTJZHBF-RPWUZVMVSA-N 1 3 362.517 4.379 20 0 FIADHO CC[NH+]1CCC(N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462036584 1111468914 /nfs/dbraw/zinc/46/89/14/1111468914.db2.gz FIWQYZZGMUFCSH-NRFANRHFSA-N 1 3 368.521 4.062 20 0 FIADHO C[NH+](C)CCOc1cc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000539217654 1111479658 /nfs/dbraw/zinc/47/96/58/1111479658.db2.gz OIHOIQOCQFHJKE-JOCHJYFZSA-N 1 3 371.500 4.182 20 0 FIADHO COC[C@H](NCC1CC[NH+](CCC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000539316837 1111510538 /nfs/dbraw/zinc/51/05/38/1111510538.db2.gz IYBLYFTWHXFMOA-FQEVSTJZSA-N 1 3 354.485 4.000 20 0 FIADHO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000552056189 1111559958 /nfs/dbraw/zinc/55/99/58/1111559958.db2.gz VWGDNNFWMGWYJE-YFNKSVMNSA-N 1 3 363.549 4.213 20 0 FIADHO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000479381487 1112005114 /nfs/dbraw/zinc/00/51/14/1112005114.db2.gz BAUIEMNXWLCHKV-NRFANRHFSA-N 1 3 355.526 4.213 20 0 FIADHO COC[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000479449112 1112027162 /nfs/dbraw/zinc/02/71/62/1112027162.db2.gz UGCLSARJYOXCSM-WIYYLYMNSA-N 1 3 358.913 4.139 20 0 FIADHO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000479460998 1112032409 /nfs/dbraw/zinc/03/24/09/1112032409.db2.gz AGNNTGHITLJLQP-WIYYLYMNSA-N 1 3 354.469 4.151 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464291 1112034845 /nfs/dbraw/zinc/03/48/45/1112034845.db2.gz LPCSBUDWUKUGQD-CTNGQTDRSA-N 1 3 360.505 4.045 20 0 FIADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccn2)cc1 ZINC000479464291 1112034848 /nfs/dbraw/zinc/03/48/48/1112034848.db2.gz LPCSBUDWUKUGQD-CTNGQTDRSA-N 1 3 360.505 4.045 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479547086 1112065328 /nfs/dbraw/zinc/06/53/28/1112065328.db2.gz APHWUFLCDWDFQA-OAHLLOKOSA-N 1 3 369.347 4.059 20 0 FIADHO COc1c(Br)cccc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479547086 1112065332 /nfs/dbraw/zinc/06/53/32/1112065332.db2.gz APHWUFLCDWDFQA-OAHLLOKOSA-N 1 3 369.347 4.059 20 0 FIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000479764503 1112135074 /nfs/dbraw/zinc/13/50/74/1112135074.db2.gz GWMLICSZNQWQBS-QZTJIDSGSA-N 1 3 357.546 4.045 20 0 FIADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000479853709 1112162583 /nfs/dbraw/zinc/16/25/83/1112162583.db2.gz RFBBCNBAMLJAFB-AWEZNQCLSA-N 1 3 357.361 4.163 20 0 FIADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000480062038 1112254815 /nfs/dbraw/zinc/25/48/15/1112254815.db2.gz YGPAIMKUGQBEGQ-UHFFFAOYSA-N 1 3 371.569 4.057 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000480152160 1112304030 /nfs/dbraw/zinc/30/40/30/1112304030.db2.gz XQWANHDPUKLTAJ-SFHVURJKSA-N 1 3 360.546 4.087 20 0 FIADHO CCc1nc2c(s1)[C@@H](NCCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000480222596 1112337600 /nfs/dbraw/zinc/33/76/00/1112337600.db2.gz BIZRUUVFNBCPEQ-SFHVURJKSA-N 1 3 355.551 4.121 20 0 FIADHO CCc1nc2c(s1)[C@@H](NCCC[N@H+]1CCc3ccccc3C1)CCC2 ZINC000480222596 1112337605 /nfs/dbraw/zinc/33/76/05/1112337605.db2.gz BIZRUUVFNBCPEQ-SFHVURJKSA-N 1 3 355.551 4.121 20 0 FIADHO C[C@@H]1C[NH+](Cc2ccc(CNCc3ccsc3Cl)cc2)C[C@@H](C)O1 ZINC000480644121 1112519206 /nfs/dbraw/zinc/51/92/06/1112519206.db2.gz IJHCNHUCZRJTKR-HUUCEWRRSA-N 1 3 364.942 4.301 20 0 FIADHO C[C@H]1C[NH+](Cc2ccccc2CNCc2ccsc2Cl)C[C@H](C)O1 ZINC000480667210 1112535517 /nfs/dbraw/zinc/53/55/17/1112535517.db2.gz QYRKVNKKZSQOPV-GJZGRUSLSA-N 1 3 364.942 4.301 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480810379 1112615790 /nfs/dbraw/zinc/61/57/90/1112615790.db2.gz DYVQUYMOWXFHPL-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480810379 1112615795 /nfs/dbraw/zinc/61/57/95/1112615795.db2.gz DYVQUYMOWXFHPL-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO CCC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000480888920 1112648782 /nfs/dbraw/zinc/64/87/82/1112648782.db2.gz JAEIKYPQOQTZSA-QHCPKHFHSA-N 1 3 351.538 4.065 20 0 FIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)CCCO2 ZINC000481320859 1112891843 /nfs/dbraw/zinc/89/18/43/1112891843.db2.gz NMCLQKRZTSVPLT-QFIPXVFZSA-N 1 3 368.521 4.247 20 0 FIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000481333328 1112903920 /nfs/dbraw/zinc/90/39/20/1112903920.db2.gz SKHUQKFBBCQUAQ-HKUYNNGSSA-N 1 3 356.485 4.397 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+]CC3CCCCC3)C3(C2)CCOCC3)cc1 ZINC000555611995 1112946691 /nfs/dbraw/zinc/94/66/91/1112946691.db2.gz FZSOBJSVZBLWFW-QFIPXVFZSA-N 1 3 356.554 4.085 20 0 FIADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481730098 1113057970 /nfs/dbraw/zinc/05/79/70/1113057970.db2.gz SPXMKVNDGOVTSZ-ZHRRBRCNSA-N 1 3 356.485 4.179 20 0 FIADHO COCCC[NH+]1CCC(N[C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000481943296 1113136213 /nfs/dbraw/zinc/13/62/13/1113136213.db2.gz IPKKYNLVLTZNDR-FQEVSTJZSA-N 1 3 350.934 4.198 20 0 FIADHO CC[NH+](CC)CCOC1CCN(Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000481980932 1113147147 /nfs/dbraw/zinc/14/71/47/1113147147.db2.gz ATWOBTSZBYPSEA-UHFFFAOYSA-N 1 3 357.542 4.108 20 0 FIADHO COc1cc(C)c([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000162904409 1113211289 /nfs/dbraw/zinc/21/12/89/1113211289.db2.gz MFVVIHSJUKFQEQ-SFHVURJKSA-N 1 3 368.521 4.459 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000482326632 1113226436 /nfs/dbraw/zinc/22/64/36/1113226436.db2.gz ZDZURPNMNTWDMG-KDOFPFPSSA-N 1 3 356.432 4.283 20 0 FIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CCCO2 ZINC000482438996 1113260355 /nfs/dbraw/zinc/26/03/55/1113260355.db2.gz NWLQIUWJEUXNBY-GGAORHGYSA-N 1 3 364.533 4.363 20 0 FIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451276 1113263643 /nfs/dbraw/zinc/26/36/43/1113263643.db2.gz RXCFWQDHBBSMNC-NZQKXSOJSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451276 1113263646 /nfs/dbraw/zinc/26/36/46/1113263646.db2.gz RXCFWQDHBBSMNC-NZQKXSOJSA-N 1 3 352.522 4.301 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000482451276 1113263652 /nfs/dbraw/zinc/26/36/52/1113263652.db2.gz RXCFWQDHBBSMNC-NZQKXSOJSA-N 1 3 352.522 4.301 20 0 FIADHO COc1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000483159846 1113451105 /nfs/dbraw/zinc/45/11/05/1113451105.db2.gz SNJJFVFKFIFQJB-VGSWGCGISA-N 1 3 350.506 4.498 20 0 FIADHO COc1ccc2oc(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc2c1 ZINC000486374956 1113556193 /nfs/dbraw/zinc/55/61/93/1113556193.db2.gz MTIGZBKBAUKKQX-IEBWSBKVSA-N 1 3 364.489 4.442 20 0 FIADHO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486381622 1113557256 /nfs/dbraw/zinc/55/72/56/1113557256.db2.gz YFHZXQZYVIZTLJ-QFBILLFUSA-N 1 3 355.551 4.411 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486535282 1113591493 /nfs/dbraw/zinc/59/14/93/1113591493.db2.gz JBOBSMPTCQVGHJ-PXNSSMCTSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@@H](NCc1cc2ccc(F)cc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486708702 1113626829 /nfs/dbraw/zinc/62/68/29/1113626829.db2.gz KDCLBLUVLKJJPN-APWZRJJASA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H](NCc1cc2ccc(F)cc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486708702 1113626833 /nfs/dbraw/zinc/62/68/33/1113626833.db2.gz KDCLBLUVLKJJPN-APWZRJJASA-N 1 3 351.469 4.307 20 0 FIADHO C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486708702 1113626836 /nfs/dbraw/zinc/62/68/36/1113626836.db2.gz KDCLBLUVLKJJPN-APWZRJJASA-N 1 3 351.469 4.307 20 0 FIADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490110503 1114216040 /nfs/dbraw/zinc/21/60/40/1114216040.db2.gz BVCSBULQLSMXFQ-XMMPIXPASA-N 1 3 365.565 4.010 20 0 FIADHO C[NH2+]CC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000572880864 1114802787 /nfs/dbraw/zinc/80/27/87/1114802787.db2.gz ROKOCHGTFVJWAJ-UHFFFAOYSA-N 1 3 374.941 4.148 20 0 FIADHO CSc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573651933 1115161485 /nfs/dbraw/zinc/16/14/85/1115161485.db2.gz QUWVXTYCICXBIE-QZTJIDSGSA-N 1 3 358.576 4.424 20 0 FIADHO CSc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573651933 1115161486 /nfs/dbraw/zinc/16/14/86/1115161486.db2.gz QUWVXTYCICXBIE-QZTJIDSGSA-N 1 3 358.576 4.424 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000539898429 1117740346 /nfs/dbraw/zinc/74/03/46/1117740346.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 1 3 369.597 4.093 20 0 FIADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000539898429 1117740350 /nfs/dbraw/zinc/74/03/50/1117740350.db2.gz QTBJBCQNBOVJRK-GMAHTHKFSA-N 1 3 369.597 4.093 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000462848253 1117818530 /nfs/dbraw/zinc/81/85/30/1117818530.db2.gz OMYZPCTXEUQOQE-CEXWTWQISA-N 1 3 362.558 4.404 20 0 FIADHO CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000540178727 1117923170 /nfs/dbraw/zinc/92/31/70/1117923170.db2.gz FCXFGJUNQSGZQH-JTSKRJEESA-N 1 3 368.521 4.364 20 0 FIADHO C[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCCC1 ZINC000463071346 1117956010 /nfs/dbraw/zinc/95/60/10/1117956010.db2.gz LMPNHFYSCLWSFW-SFHVURJKSA-N 1 3 363.977 4.016 20 0 FIADHO C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)CN1CCCCC1 ZINC000463073768 1117957947 /nfs/dbraw/zinc/95/79/47/1117957947.db2.gz XOUKKXGQBHUPAV-SFHVURJKSA-N 1 3 363.977 4.016 20 0 FIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262171 1117962339 /nfs/dbraw/zinc/96/23/39/1117962339.db2.gz GMXYUXYROXNBLD-KBXCAEBGSA-N 1 3 351.332 4.222 20 0 FIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262171 1117962340 /nfs/dbraw/zinc/96/23/40/1117962340.db2.gz GMXYUXYROXNBLD-KBXCAEBGSA-N 1 3 351.332 4.222 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000463120468 1117979087 /nfs/dbraw/zinc/97/90/87/1117979087.db2.gz VYRKYIMYTZSIKZ-HUVFLSCGSA-N 1 3 365.565 4.240 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C[C@@H](C)O1 ZINC000540320793 1117982939 /nfs/dbraw/zinc/98/29/39/1117982939.db2.gz NBCVVPQVYKWUJS-JXXFODFXSA-N 1 3 350.934 4.270 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1O2 ZINC000540468504 1118083674 /nfs/dbraw/zinc/08/36/74/1118083674.db2.gz SYQDQOAWJYIUIJ-OAQYLSRUSA-N 1 3 366.505 4.033 20 0 FIADHO Cc1cc(F)ccc1CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540495000 1118092053 /nfs/dbraw/zinc/09/20/53/1118092053.db2.gz OCZDVBGRYQABEW-NRFANRHFSA-N 1 3 368.496 4.254 20 0 FIADHO Cc1cc(F)ccc1CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540495002 1118092124 /nfs/dbraw/zinc/09/21/24/1118092124.db2.gz OCZDVBGRYQABEW-OAQYLSRUSA-N 1 3 368.496 4.254 20 0 FIADHO Cc1ccsc1CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000540507751 1118098619 /nfs/dbraw/zinc/09/86/19/1118098619.db2.gz NOWDZHGSGDIHOZ-GOSISDBHSA-N 1 3 356.535 4.177 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC(=O)Nc3ccccc32)c1 ZINC000541565561 1118557735 /nfs/dbraw/zinc/55/77/35/1118557735.db2.gz GIEAWWUMLSZFEN-FQEVSTJZSA-N 1 3 351.494 4.090 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC(=O)Nc3ccccc32)c1 ZINC000541565561 1118557739 /nfs/dbraw/zinc/55/77/39/1118557739.db2.gz GIEAWWUMLSZFEN-FQEVSTJZSA-N 1 3 351.494 4.090 20 0 FIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cnn(-c2ccccc2)c1 ZINC000312366493 1118590959 /nfs/dbraw/zinc/59/09/59/1118590959.db2.gz AJEKEVHFDFVFEF-PZJWPPBQSA-N 1 3 360.505 4.045 20 0 FIADHO C[C@@H](c1cccc2ccccc21)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541662172 1118601228 /nfs/dbraw/zinc/60/12/28/1118601228.db2.gz LAEUGOPGAMNKHY-FQEVSTJZSA-N 1 3 365.565 4.250 20 0 FIADHO CC(C)N1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541772753 1118644978 /nfs/dbraw/zinc/64/49/78/1118644978.db2.gz KUSBQNXZDFCSOX-UHFFFAOYSA-N 1 3 362.411 4.071 20 0 FIADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541772753 1118644982 /nfs/dbraw/zinc/64/49/82/1118644982.db2.gz KUSBQNXZDFCSOX-UHFFFAOYSA-N 1 3 362.411 4.071 20 0 FIADHO CC(C)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000541914739 1118699358 /nfs/dbraw/zinc/69/93/58/1118699358.db2.gz IXBJQEQHXFUOIN-QINHECLXSA-N 1 3 354.485 4.141 20 0 FIADHO C[NH+]1CCC(NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000492131055 1119030636 /nfs/dbraw/zinc/03/06/36/1119030636.db2.gz NFPFKHSCRLICCF-OAQYLSRUSA-N 1 3 358.913 4.282 20 0 FIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000173329742 1119033727 /nfs/dbraw/zinc/03/37/27/1119033727.db2.gz JFKGKCIINAJESE-OAHLLOKOSA-N 1 3 366.427 4.497 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000311493685 1119376820 /nfs/dbraw/zinc/37/68/20/1119376820.db2.gz KDEPGAVFBZOWDW-XXBNENTESA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493685 1119376823 /nfs/dbraw/zinc/37/68/23/1119376823.db2.gz KDEPGAVFBZOWDW-XXBNENTESA-N 1 3 350.506 4.184 20 0 FIADHO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000178258192 1119380290 /nfs/dbraw/zinc/38/02/90/1119380290.db2.gz HEGWLGQUBLKLAG-SFHVURJKSA-N 1 3 354.416 4.037 20 0 FIADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000311892244 1119393738 /nfs/dbraw/zinc/39/37/38/1119393738.db2.gz YPKVVOBZLJVWSK-VXKWHMMOSA-N 1 3 356.554 4.228 20 0 FIADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000312112555 1119402460 /nfs/dbraw/zinc/40/24/60/1119402460.db2.gz NBTSMUCCBCCROV-FNAHDJPLSA-N 1 3 356.554 4.082 20 0 FIADHO O=C1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2N1 ZINC000542480494 1119822757 /nfs/dbraw/zinc/82/27/57/1119822757.db2.gz DJSKNBFGGCUNFF-OAQYLSRUSA-N 1 3 363.505 4.236 20 0 FIADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCCO2)CC1 ZINC000189739991 1119915138 /nfs/dbraw/zinc/91/51/38/1119915138.db2.gz LZTPBUJSIRNZLM-LJQANCHMSA-N 1 3 370.459 4.171 20 0 FIADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCCO2)CC1 ZINC000189739991 1119915140 /nfs/dbraw/zinc/91/51/40/1119915140.db2.gz LZTPBUJSIRNZLM-LJQANCHMSA-N 1 3 370.459 4.171 20 0 FIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CCS2 ZINC000250103081 1120476248 /nfs/dbraw/zinc/47/62/48/1120476248.db2.gz RRSYBIGFBYGNEY-QHAWAJNXSA-N 1 3 374.594 4.198 20 0 FIADHO Clc1cccc([C@@H](Cc2cccnc2)NC2CC[NH+](C3CC3)CC2)c1 ZINC000495261189 1120595244 /nfs/dbraw/zinc/59/52/44/1120595244.db2.gz VKBDMZRFRAFFFD-OAQYLSRUSA-N 1 3 355.913 4.235 20 0 FIADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650771 1120945366 /nfs/dbraw/zinc/94/53/66/1120945366.db2.gz RPZMGOZUPOVLEI-LSDHHAIUSA-N 1 3 358.498 4.153 20 0 FIADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650771 1120945367 /nfs/dbraw/zinc/94/53/67/1120945367.db2.gz RPZMGOZUPOVLEI-LSDHHAIUSA-N 1 3 358.498 4.153 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cc(Br)ncc1F ZINC000762736732 1120956936 /nfs/dbraw/zinc/95/69/36/1120956936.db2.gz RRFLNDBMTBEWCX-KGLIPLIRSA-N 1 3 372.326 4.288 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cc(Br)ncc1F ZINC000762736732 1120956937 /nfs/dbraw/zinc/95/69/37/1120956937.db2.gz RRFLNDBMTBEWCX-KGLIPLIRSA-N 1 3 372.326 4.288 20 0 FIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cc(Br)ncc1F ZINC000762737736 1120957103 /nfs/dbraw/zinc/95/71/03/1120957103.db2.gz TZDCMWDJZAQWBN-CQSZACIVSA-N 1 3 372.326 4.146 20 0 FIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000236930736 1120971750 /nfs/dbraw/zinc/97/17/50/1120971750.db2.gz KJZUCRSCQBQQHS-NRFANRHFSA-N 1 3 368.521 4.096 20 0 FIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000397626984 1121252187 /nfs/dbraw/zinc/25/21/87/1121252187.db2.gz YJTYWBYAQTWNGZ-SFHVURJKSA-N 1 3 364.489 4.111 20 0 FIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000397636140 1121256912 /nfs/dbraw/zinc/25/69/12/1121256912.db2.gz PXHHIMNYRUYTAA-HNNXBMFYSA-N 1 3 364.942 4.079 20 0 FIADHO CCCN1CCC([N@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000123819112 1121635944 /nfs/dbraw/zinc/63/59/44/1121635944.db2.gz DAAKDNFHFPEIBS-UHFFFAOYSA-N 1 3 373.566 4.337 20 0 FIADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000123819112 1121635948 /nfs/dbraw/zinc/63/59/48/1121635948.db2.gz DAAKDNFHFPEIBS-UHFFFAOYSA-N 1 3 373.566 4.337 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739769 1121636916 /nfs/dbraw/zinc/63/69/16/1121636916.db2.gz OVVUQFDFUBPIHL-HNNXBMFYSA-N 1 3 353.466 4.226 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000123907823 1121644803 /nfs/dbraw/zinc/64/48/03/1121644803.db2.gz UFXAFWUESLENKC-KRWDZBQOSA-N 1 3 356.510 4.315 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000123907823 1121644809 /nfs/dbraw/zinc/64/48/09/1121644809.db2.gz UFXAFWUESLENKC-KRWDZBQOSA-N 1 3 356.510 4.315 20 0 FIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000123948933 1121648622 /nfs/dbraw/zinc/64/86/22/1121648622.db2.gz PVQNJSLXMBTFFJ-GOSISDBHSA-N 1 3 365.521 4.116 20 0 FIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000123948933 1121648632 /nfs/dbraw/zinc/64/86/32/1121648632.db2.gz PVQNJSLXMBTFFJ-GOSISDBHSA-N 1 3 365.521 4.116 20 0 FIADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125730949 1121818294 /nfs/dbraw/zinc/81/82/94/1121818294.db2.gz YLZNBVBGADXAEW-RBUKOAKNSA-N 1 3 374.573 4.331 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186360639 1122054241 /nfs/dbraw/zinc/05/42/41/1122054241.db2.gz VQNHEJXGNBFHGJ-UHFFFAOYSA-N 1 3 368.521 4.463 20 0 FIADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133155394 1123436840 /nfs/dbraw/zinc/43/68/40/1123436840.db2.gz OXSAUGUVPZFKHB-WOJBJXKFSA-N 1 3 374.569 4.263 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453135 1124037372 /nfs/dbraw/zinc/03/73/72/1124037372.db2.gz FGIXZWGISZVWON-LUQKVYGDSA-N 1 3 374.550 4.499 20 0 FIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000245453135 1124037381 /nfs/dbraw/zinc/03/73/81/1124037381.db2.gz FGIXZWGISZVWON-LUQKVYGDSA-N 1 3 374.550 4.499 20 0 FIADHO CC(C)N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245619561 1124146441 /nfs/dbraw/zinc/14/64/41/1124146441.db2.gz ZPCADMNLYRVTPB-BXIUTXANSA-N 1 3 367.940 4.075 20 0 FIADHO CC(C)N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245619561 1124146446 /nfs/dbraw/zinc/14/64/46/1124146446.db2.gz ZPCADMNLYRVTPB-BXIUTXANSA-N 1 3 367.940 4.075 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000542775317 1124252371 /nfs/dbraw/zinc/25/23/71/1124252371.db2.gz UCDUUKOXBMAMIZ-WTBLGDFPSA-N 1 3 363.549 4.144 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542775317 1124252377 /nfs/dbraw/zinc/25/23/77/1124252377.db2.gz UCDUUKOXBMAMIZ-WTBLGDFPSA-N 1 3 363.549 4.144 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1C(F)(F)F ZINC000246320367 1124445826 /nfs/dbraw/zinc/44/58/26/1124445826.db2.gz FHMQJSWLOZRFBD-GDIGMMSISA-N 1 3 370.459 4.124 20 0 FIADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCc2c1cccc2Cl ZINC000542848569 1124448718 /nfs/dbraw/zinc/44/87/18/1124448718.db2.gz RWLYHQQSGKKLPQ-GCJKJVERSA-N 1 3 370.924 4.074 20 0 FIADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCc2c1cccc2Cl ZINC000542848569 1124448723 /nfs/dbraw/zinc/44/87/23/1124448723.db2.gz RWLYHQQSGKKLPQ-GCJKJVERSA-N 1 3 370.924 4.074 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000246519881 1124523831 /nfs/dbraw/zinc/52/38/31/1124523831.db2.gz UPIIHTRZCIDING-ZOCIIQOWSA-N 1 3 370.459 4.124 20 0 FIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1Br ZINC000246976153 1124577908 /nfs/dbraw/zinc/57/79/08/1124577908.db2.gz JUKPZXDQHUNNHO-CABCVRRESA-N 1 3 369.347 4.229 20 0 FIADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247171113 1124596685 /nfs/dbraw/zinc/59/66/85/1124596685.db2.gz YNFCEICPXPCVNS-JYJNAYRXSA-N 1 3 353.576 4.115 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000247449202 1124709147 /nfs/dbraw/zinc/70/91/47/1124709147.db2.gz YVNKMZIRSOTVBU-RBUKOAKNSA-N 1 3 354.542 4.281 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000247449202 1124709151 /nfs/dbraw/zinc/70/91/51/1124709151.db2.gz YVNKMZIRSOTVBU-RBUKOAKNSA-N 1 3 354.542 4.281 20 0 FIADHO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248412045 1124764899 /nfs/dbraw/zinc/76/48/99/1124764899.db2.gz ZYRFVYKYAJVYOM-SLYNCCJLSA-N 1 3 362.533 4.016 20 0 FIADHO Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC001168683858 1124801380 /nfs/dbraw/zinc/80/13/80/1124801380.db2.gz APMNAHDMRXGOHS-JROBLHLSSA-N 1 3 366.936 4.307 20 0 FIADHO CCCN1CC[C@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000249452145 1124858928 /nfs/dbraw/zinc/85/89/28/1124858928.db2.gz COAPLIBVVAIELN-WBMJQRKESA-N 1 3 357.361 4.283 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522830 1125000048 /nfs/dbraw/zinc/00/00/48/1125000048.db2.gz CTIHQGANNQOVFK-VDGAXYAQSA-N 1 3 362.583 4.217 20 0 FIADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1nc2ccccc2n1C ZINC000091403725 1125070746 /nfs/dbraw/zinc/07/07/46/1125070746.db2.gz QSGFHNHAARHYEM-LMDPOFIKSA-N 1 3 354.542 4.267 20 0 FIADHO CC(C)n1cc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000602275601 567962338 /nfs/dbraw/zinc/96/23/38/567962338.db2.gz YGDJSGGKXBFZMU-UHFFFAOYSA-N 1 3 368.569 4.289 20 0 FIADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000563135099 568267104 /nfs/dbraw/zinc/26/71/04/568267104.db2.gz DJFOLZSIIXRHAD-YADHBBJMSA-N 1 3 368.546 4.166 20 0 FIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(CO)c(F)c2)ccc1OC ZINC000182576711 1125573152 /nfs/dbraw/zinc/57/31/52/1125573152.db2.gz HNDZPPZNVZJJOR-MRXNPFEDSA-N 1 3 374.500 4.019 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1CN1CCCCC1 ZINC000183130461 1125755068 /nfs/dbraw/zinc/75/50/68/1125755068.db2.gz NTMSXBFVVKSFCK-MSOLQXFVSA-N 1 3 360.542 4.147 20 0 FIADHO C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001648785835 1079569329 /nfs/dbraw/zinc/56/93/29/1079569329.db2.gz HSNLNFXWOWAOLG-GBXCKJPGSA-N 1 3 363.549 4.287 20 0 FIADHO Brc1ccccc1C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643547240 1079678542 /nfs/dbraw/zinc/67/85/42/1079678542.db2.gz BSOHHACQNCDQIP-SJLPKXTDSA-N 1 3 363.343 4.035 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117305 1080788777 /nfs/dbraw/zinc/78/87/77/1080788777.db2.gz GDRCECOQIDCALW-JJEOQYAHSA-N 1 3 350.506 4.183 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000398117305 1080788783 /nfs/dbraw/zinc/78/87/83/1080788783.db2.gz GDRCECOQIDCALW-JJEOQYAHSA-N 1 3 350.506 4.183 20 0 FIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3cn4ccnc4s3)cc2)C1 ZINC001648808199 1081111581 /nfs/dbraw/zinc/11/15/81/1081111581.db2.gz DWEGYHAEONEBSH-IAGOWNOFSA-N 1 3 368.550 4.164 20 0 FIADHO CC(C)n1c2ccccc2nc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001648811051 1081124256 /nfs/dbraw/zinc/12/42/56/1081124256.db2.gz CXMJBWJLPGNQKY-OALUTQOASA-N 1 3 356.558 4.465 20 0 FIADHO CC(C)c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000537955318 1081448833 /nfs/dbraw/zinc/44/88/33/1081448833.db2.gz RDIDVKJJEITZKH-VJBWXMMDSA-N 1 3 356.554 4.155 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC000312925157 1082033401 /nfs/dbraw/zinc/03/34/01/1082033401.db2.gz DGQGDHZGSIEBPU-CMKODMSKSA-N 1 3 368.521 4.265 20 0 FIADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC000312925158 1082033594 /nfs/dbraw/zinc/03/35/94/1082033594.db2.gz DGQGDHZGSIEBPU-HBFSDRIKSA-N 1 3 368.521 4.265 20 0 FIADHO COc1cccc(C2(CNC3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)CC2)c1 ZINC000581517870 1082633499 /nfs/dbraw/zinc/63/34/99/1082633499.db2.gz BLOJQRXOYSLZPN-PGRDOPGGSA-N 1 3 356.554 4.360 20 0 FIADHO CCOCc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000581574979 1082672174 /nfs/dbraw/zinc/67/21/74/1082672174.db2.gz WQRRPOGTESFBRC-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000581574979 1082672176 /nfs/dbraw/zinc/67/21/76/1082672176.db2.gz WQRRPOGTESFBRC-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO CCOCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000581574979 1082672179 /nfs/dbraw/zinc/67/21/79/1082672179.db2.gz WQRRPOGTESFBRC-XXBNENTESA-N 1 3 352.522 4.223 20 0 FIADHO c1ccc(COc2cccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000090953707 1083218987 /nfs/dbraw/zinc/21/89/87/1083218987.db2.gz VZJVCWSIMCLKNG-FCHUYYIVSA-N 1 3 350.506 4.025 20 0 FIADHO c1ccc(COc2cccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000090953707 1083218989 /nfs/dbraw/zinc/21/89/89/1083218989.db2.gz VZJVCWSIMCLKNG-FCHUYYIVSA-N 1 3 350.506 4.025 20 0 FIADHO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cn1 ZINC000658320216 1083405884 /nfs/dbraw/zinc/40/58/84/1083405884.db2.gz RUZDZRMPUAYGLH-SIKLNZKXSA-N 1 3 366.553 4.417 20 0 FIADHO CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000548483602 1083465914 /nfs/dbraw/zinc/46/59/14/1083465914.db2.gz VLXBSXCSTKXHLL-FXAWDEMLSA-N 1 3 356.485 4.225 20 0 FIADHO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483456 1083468169 /nfs/dbraw/zinc/46/81/69/1083468169.db2.gz NWTPQWMMTMQUPL-IEBWSBKVSA-N 1 3 371.594 4.483 20 0 FIADHO COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000510973763 1083542562 /nfs/dbraw/zinc/54/25/62/1083542562.db2.gz AUDUBFGAENQOQK-YCRPNKLZSA-N 1 3 372.484 4.113 20 0 FIADHO C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000181323679 1083866487 /nfs/dbraw/zinc/86/64/87/1083866487.db2.gz QPOXMXQRYIWFIJ-IERDGZPVSA-N 1 3 372.484 4.331 20 0 FIADHO Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc2c1C ZINC000472078684 1084251704 /nfs/dbraw/zinc/25/17/04/1084251704.db2.gz CVFCUWBFYIVKLP-NRFANRHFSA-N 1 3 361.533 4.439 20 0 FIADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157120535 1084322304 /nfs/dbraw/zinc/32/23/04/1084322304.db2.gz RDNIJXJVLJFBLM-ZWKOTPCHSA-N 1 3 360.542 4.015 20 0 FIADHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c2sccc21 ZINC000414296370 1084988074 /nfs/dbraw/zinc/98/80/74/1084988074.db2.gz FGLHNAXSFLKZCH-YLJYHZDGSA-N 1 3 370.562 4.303 20 0 FIADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)c2ccccc21 ZINC000549528409 1085368094 /nfs/dbraw/zinc/36/80/94/1085368094.db2.gz XZARLXYKYMHOPJ-IOMROCGXSA-N 1 3 358.526 4.022 20 0 FIADHO c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613835 1085699956 /nfs/dbraw/zinc/69/99/56/1085699956.db2.gz SLNIOOQVXKYVAX-DNQXCXABSA-N 1 3 363.549 4.295 20 0 FIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347987 1085919071 /nfs/dbraw/zinc/91/90/71/1085919071.db2.gz QTEIBWOQEBOWEA-FHIHXZLISA-N 1 3 357.325 4.273 20 0 FIADHO CN(CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646581 1086009569 /nfs/dbraw/zinc/00/95/69/1086009569.db2.gz FKJDLBKNWSNSFQ-VWNXMTODSA-N 1 3 363.549 4.109 20 0 FIADHO CN(CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccccc1 ZINC001167646581 1086009579 /nfs/dbraw/zinc/00/95/79/1086009579.db2.gz FKJDLBKNWSNSFQ-VWNXMTODSA-N 1 3 363.549 4.109 20 0 FIADHO Cc1ccc(C(=O)C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c(C)c1 ZINC000662253957 1086378675 /nfs/dbraw/zinc/37/86/75/1086378675.db2.gz ZNUSMFJKADYBEL-UHFFFAOYSA-N 1 3 362.517 4.044 20 0 FIADHO C[C@H](c1ccc(F)c(F)c1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327977 1086418742 /nfs/dbraw/zinc/41/87/42/1086418742.db2.gz WWRPAGHLKHQBBD-CQSZACIVSA-N 1 3 374.479 4.096 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413231 1086736574 /nfs/dbraw/zinc/73/65/74/1086736574.db2.gz LMBGGSLROUUIKV-KXBFYZLASA-N 1 3 370.459 4.247 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCO1 ZINC000432413231 1086736578 /nfs/dbraw/zinc/73/65/78/1086736578.db2.gz LMBGGSLROUUIKV-KXBFYZLASA-N 1 3 370.459 4.247 20 0 FIADHO C[C@H]1C[N@H+](CCCN[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422561 1086747684 /nfs/dbraw/zinc/74/76/84/1086747684.db2.gz FUVMRCOJSCPNJG-SUMWQHHRSA-N 1 3 357.325 4.071 20 0 FIADHO C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000432422561 1086747688 /nfs/dbraw/zinc/74/76/88/1086747688.db2.gz FUVMRCOJSCPNJG-SUMWQHHRSA-N 1 3 357.325 4.071 20 0 FIADHO COc1ccsc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657771826 1086821129 /nfs/dbraw/zinc/82/11/29/1086821129.db2.gz GVJXZXCJNLJWMT-SFHVURJKSA-N 1 3 356.535 4.149 20 0 FIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000584028463 1087121395 /nfs/dbraw/zinc/12/13/95/1087121395.db2.gz YGSNXZXLZUNDMF-HNNXBMFYSA-N 1 3 354.336 4.151 20 0 FIADHO CC[NH2+]CC1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000584053312 1087140682 /nfs/dbraw/zinc/14/06/82/1087140682.db2.gz GPFCYZYTQVZKIP-UHFFFAOYSA-N 1 3 368.521 4.096 20 0 FIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cc2cnccc2o1 ZINC000657866443 1087440344 /nfs/dbraw/zinc/44/03/44/1087440344.db2.gz BZNZENJXOKHHHO-MRXNPFEDSA-N 1 3 353.466 4.009 20 0 FIADHO c1coc(C2=CCCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000685436666 1087567878 /nfs/dbraw/zinc/56/78/78/1087567878.db2.gz RQIQVXQHPFUZBL-UHFFFAOYSA-N 1 3 352.478 4.044 20 0 FIADHO Cc1ccc2cc([C@@H](C)NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)oc2c1 ZINC000658141922 1087733520 /nfs/dbraw/zinc/73/35/20/1087733520.db2.gz XVJXFVTZGLWDTJ-DYESRHJHSA-N 1 3 364.489 4.159 20 0 FIADHO Cc1ccc2cc([C@@H](C)NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc2c1 ZINC000658141922 1087733526 /nfs/dbraw/zinc/73/35/26/1087733526.db2.gz XVJXFVTZGLWDTJ-DYESRHJHSA-N 1 3 364.489 4.159 20 0 FIADHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137319 1087742072 /nfs/dbraw/zinc/74/20/72/1087742072.db2.gz GLFMTADMPPNYJJ-IRXDYDNUSA-N 1 3 364.942 4.209 20 0 FIADHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137319 1087742078 /nfs/dbraw/zinc/74/20/78/1087742078.db2.gz GLFMTADMPPNYJJ-IRXDYDNUSA-N 1 3 364.942 4.209 20 0 FIADHO CC(C)CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658139247 1087745541 /nfs/dbraw/zinc/74/55/41/1087745541.db2.gz PMVQZBZRJBYDES-YADHBBJMSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658139247 1087745547 /nfs/dbraw/zinc/74/55/47/1087745547.db2.gz PMVQZBZRJBYDES-YADHBBJMSA-N 1 3 356.510 4.113 20 0 FIADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165002 1087759421 /nfs/dbraw/zinc/75/94/21/1087759421.db2.gz HCHQMYXHMPEOAN-JOCHJYFZSA-N 1 3 353.485 4.100 20 0 FIADHO c1cc(CN2CCC(C[NH2+]C3CCC(OC4CCCC4)CC3)CC2)ccn1 ZINC000658166972 1087763238 /nfs/dbraw/zinc/76/32/38/1087763238.db2.gz WSVHBSTXPSYUHV-UHFFFAOYSA-N 1 3 371.569 4.154 20 0 FIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2n1 ZINC000658168324 1087765339 /nfs/dbraw/zinc/76/53/39/1087765339.db2.gz VYTFPOHXHVRGGH-GOSISDBHSA-N 1 3 360.505 4.193 20 0 FIADHO CCCOc1c(Cl)cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424378686 1087963669 /nfs/dbraw/zinc/96/36/69/1087963669.db2.gz NKVWQVHBASVZJD-HNNXBMFYSA-N 1 3 366.933 4.101 20 0 FIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000163568368 1088291964 /nfs/dbraw/zinc/29/19/64/1088291964.db2.gz KINHUXCSSAWVDI-SSOJOUAXSA-N 1 3 358.551 4.117 20 0 FIADHO CCOCOc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000782955096 1088739390 /nfs/dbraw/zinc/73/93/90/1088739390.db2.gz BWIPSCVBKZHYAS-IBGZPJMESA-N 1 3 374.550 4.123 20 0 FIADHO CCOCOc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000782955096 1088739400 /nfs/dbraw/zinc/73/94/00/1088739400.db2.gz BWIPSCVBKZHYAS-IBGZPJMESA-N 1 3 374.550 4.123 20 0 FIADHO [NH3+]CCC[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000415045411 1089089873 /nfs/dbraw/zinc/08/98/73/1089089873.db2.gz BQKNPSPYJNWBTO-FQEVSTJZSA-N 1 3 354.885 4.096 20 0 FIADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(F)c(-c4cccs4)c3)CC2)C1 ZINC000415124026 1089187913 /nfs/dbraw/zinc/18/79/13/1089187913.db2.gz MBYGDAOXEKCGJM-FXAWDEMLSA-N 1 3 374.525 4.273 20 0 FIADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ccsc43)CC2)CC1 ZINC000514948137 1089659510 /nfs/dbraw/zinc/65/95/10/1089659510.db2.gz VIZHRXASRFBHIB-UHFFFAOYSA-N 1 3 371.550 4.036 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000462810745 1089720511 /nfs/dbraw/zinc/72/05/11/1089720511.db2.gz KWPWZUYWVQPCDK-OAHLLOKOSA-N 1 3 362.315 4.145 20 0 FIADHO C[N@@H+]1CC[C@@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402549 1090232762 /nfs/dbraw/zinc/23/27/62/1090232762.db2.gz DDPJXODTPNFWID-GCJKJVERSA-N 1 3 356.460 4.123 20 0 FIADHO C[N@H+]1CC[C@@H]2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C1 ZINC000549402549 1090232770 /nfs/dbraw/zinc/23/27/70/1090232770.db2.gz DDPJXODTPNFWID-GCJKJVERSA-N 1 3 356.460 4.123 20 0 FIADHO COCc1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000388459185 1091363649 /nfs/dbraw/zinc/36/36/49/1091363649.db2.gz MCDWMOWSJHAELR-QHCPKHFHSA-N 1 3 352.522 4.225 20 0 FIADHO COCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677835 1091388109 /nfs/dbraw/zinc/38/81/09/1091388109.db2.gz UUMLTIOIWDQYSJ-QFIPXVFZSA-N 1 3 352.522 4.223 20 0 FIADHO COCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390677835 1091388120 /nfs/dbraw/zinc/38/81/20/1091388120.db2.gz UUMLTIOIWDQYSJ-QFIPXVFZSA-N 1 3 352.522 4.223 20 0 FIADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000511766248 1091651880 /nfs/dbraw/zinc/65/18/80/1091651880.db2.gz DGSYISHTLVXBEG-OTWHNJEPSA-N 1 3 357.542 4.262 20 0 FIADHO COc1c(F)cccc1CN(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001143530475 1091780909 /nfs/dbraw/zinc/78/09/09/1091780909.db2.gz YDWPPQJFXSUDFT-UHFFFAOYSA-N 1 3 356.485 4.178 20 0 FIADHO COc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1OC ZINC000500564076 1092233271 /nfs/dbraw/zinc/23/32/71/1092233271.db2.gz YVZFTFVVJJYUSY-HZPDHXFCSA-N 1 3 368.949 4.205 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3O2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011930 1092308396 /nfs/dbraw/zinc/30/83/96/1092308396.db2.gz UJFDDQINVYCORQ-GMQQQROESA-N 1 3 350.506 4.021 20 0 FIADHO C[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3O2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011930 1092308407 /nfs/dbraw/zinc/30/84/07/1092308407.db2.gz UJFDDQINVYCORQ-GMQQQROESA-N 1 3 350.506 4.021 20 0 FIADHO C[C@@H]1CC(NCc2ccc(-n3ccnc3)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011989 1092315408 /nfs/dbraw/zinc/31/54/08/1092315408.db2.gz USULPXHOVNEIBZ-WOJBJXKFSA-N 1 3 374.532 4.404 20 0 FIADHO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(F)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168012513 1092341147 /nfs/dbraw/zinc/34/11/47/1092341147.db2.gz BHRVRYRTPBSTCE-AAUAJYIVSA-N 1 3 370.512 4.280 20 0 FIADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccccc2)s1 ZINC000442869729 1092816944 /nfs/dbraw/zinc/81/69/44/1092816944.db2.gz FFDVAFFJIHERIX-KRWDZBQOSA-N 1 3 357.567 4.092 20 0 FIADHO CC(C)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000442870815 1092817049 /nfs/dbraw/zinc/81/70/49/1092817049.db2.gz ABQRIRBIZOSNSK-LJQANCHMSA-N 1 3 351.966 4.043 20 0 FIADHO C[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443218583 1092994667 /nfs/dbraw/zinc/99/46/67/1092994667.db2.gz FUEJLIUWRMUSMJ-IXDOHACOSA-N 1 3 354.498 4.266 20 0 FIADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512653423 1093080023 /nfs/dbraw/zinc/08/00/23/1093080023.db2.gz FDPWQVLRHVWNDA-FDFHNCONSA-N 1 3 356.554 4.084 20 0 FIADHO CC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168020462 1093213304 /nfs/dbraw/zinc/21/33/04/1093213304.db2.gz NCNSYFZXGOZKAS-FEJSZKPUSA-N 1 3 350.506 4.420 20 0 FIADHO CC(C)C[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000474280321 1093649703 /nfs/dbraw/zinc/64/97/03/1093649703.db2.gz VJLXOIPTMORFNO-QHCPKHFHSA-N 1 3 371.613 4.307 20 0 FIADHO C[C@H](CN[C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000623866740 1093734856 /nfs/dbraw/zinc/73/48/56/1093734856.db2.gz DSIGKMYCGSYVJC-OLZOCXBDSA-N 1 3 363.855 4.006 20 0 FIADHO C[C@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN1CCCC1 ZINC000623866740 1093734859 /nfs/dbraw/zinc/73/48/59/1093734859.db2.gz DSIGKMYCGSYVJC-OLZOCXBDSA-N 1 3 363.855 4.006 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC000513078917 1093780562 /nfs/dbraw/zinc/78/05/62/1093780562.db2.gz XNNNSPANOYARGD-BAGYTPMASA-N 1 3 369.553 4.305 20 0 FIADHO CCCn1c2ccccc2nc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000614388730 1093799472 /nfs/dbraw/zinc/79/94/72/1093799472.db2.gz XTEVUYMUHJWUSJ-RTBURBONSA-N 1 3 356.558 4.294 20 0 FIADHO c1c2ccccc2oc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000513116123 1093856479 /nfs/dbraw/zinc/85/64/79/1093856479.db2.gz ZTEGEPWBGSJEPV-UHFFFAOYSA-N 1 3 363.505 4.125 20 0 FIADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000246531382 1093940823 /nfs/dbraw/zinc/94/08/23/1093940823.db2.gz VILQQVNWSVQOFL-BMFZPTHFSA-N 1 3 369.372 4.146 20 0 FIADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000246531382 1093940828 /nfs/dbraw/zinc/94/08/28/1093940828.db2.gz VILQQVNWSVQOFL-BMFZPTHFSA-N 1 3 369.372 4.146 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000500979010 1093985549 /nfs/dbraw/zinc/98/55/49/1093985549.db2.gz ABZUHIQZIXQILX-JOCHJYFZSA-N 1 3 361.549 4.063 20 0 FIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC000474596998 1094377052 /nfs/dbraw/zinc/37/70/52/1094377052.db2.gz IHBMSHGEOMAMJQ-XWTMOSNGSA-N 1 3 352.950 4.311 20 0 FIADHO CCC(CC)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1cccs1 ZINC000501028770 1094445866 /nfs/dbraw/zinc/44/58/66/1094445866.db2.gz JTIDVOZOBGWJAI-FQEVSTJZSA-N 1 3 351.604 4.231 20 0 FIADHO CC(C)c1nc(CC[N@H+](C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041600 1094600862 /nfs/dbraw/zinc/60/08/62/1094600862.db2.gz UBRYCECCPNBFOR-ROUUACIJSA-N 1 3 370.541 4.109 20 0 FIADHO CC(C)c1nc(CC[N@@H+](C)C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)no1 ZINC001168041600 1094600872 /nfs/dbraw/zinc/60/08/72/1094600872.db2.gz UBRYCECCPNBFOR-ROUUACIJSA-N 1 3 370.541 4.109 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000501982843 1095035573 /nfs/dbraw/zinc/03/55/73/1095035573.db2.gz VYRUBZVJKBXKCM-SMIHKQSGSA-N 1 3 369.597 4.061 20 0 FIADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000501982843 1095035588 /nfs/dbraw/zinc/03/55/88/1095035588.db2.gz VYRUBZVJKBXKCM-SMIHKQSGSA-N 1 3 369.597 4.061 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000522551456 1095133757 /nfs/dbraw/zinc/13/37/57/1095133757.db2.gz JBOGHZBVTSFAQJ-FPOVZHCZSA-N 1 3 351.538 4.003 20 0 FIADHO C[C@@H](c1cccc2ccccc21)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551456 1095133759 /nfs/dbraw/zinc/13/37/59/1095133759.db2.gz JBOGHZBVTSFAQJ-FPOVZHCZSA-N 1 3 351.538 4.003 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000502880587 1095917798 /nfs/dbraw/zinc/91/77/98/1095917798.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000502880587 1095917799 /nfs/dbraw/zinc/91/77/99/1095917799.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502880587 1095917802 /nfs/dbraw/zinc/91/78/02/1095917802.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 1 3 350.934 4.087 20 0 FIADHO COc1ccc(Cl)cc1C[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000502880587 1095917804 /nfs/dbraw/zinc/91/78/04/1095917804.db2.gz QGNXQXUKYHZHSL-VQIMIIECSA-N 1 3 350.934 4.087 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000421827992 1095940101 /nfs/dbraw/zinc/94/01/01/1095940101.db2.gz ALUMRHGBFMCODA-FCEWJHQRSA-N 1 3 368.949 4.136 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000422730678 1096464191 /nfs/dbraw/zinc/46/41/91/1096464191.db2.gz FDXQWCQFSBSEOQ-JKSUJKDBSA-N 1 3 355.526 4.264 20 0 FIADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422732372 1096465162 /nfs/dbraw/zinc/46/51/62/1096465162.db2.gz PTEPOLOLCITCRB-OALUTQOASA-N 1 3 370.368 4.207 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(C)C)cc1 ZINC000422722131 1096471911 /nfs/dbraw/zinc/47/19/11/1096471911.db2.gz OWQJSDHMBPOSJL-SJORKVTESA-N 1 3 355.526 4.308 20 0 FIADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422781371 1096490417 /nfs/dbraw/zinc/49/04/17/1096490417.db2.gz IQTQXJMKTIUZNT-XUVXKRRUSA-N 1 3 355.551 4.253 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825151 1096500437 /nfs/dbraw/zinc/50/04/37/1096500437.db2.gz JDLWIRLDHUATJE-YJYMSZOUSA-N 1 3 361.436 4.178 20 0 FIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422911232 1096521989 /nfs/dbraw/zinc/52/19/89/1096521989.db2.gz KKYSTLWMVXGMBE-AWEZNQCLSA-N 1 3 358.555 4.246 20 0 FIADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000422934844 1096529458 /nfs/dbraw/zinc/52/94/58/1096529458.db2.gz KGOHPKOMXRNNIN-VQIMIIECSA-N 1 3 367.320 4.426 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC1(c2cccc(Br)c2)CCC1 ZINC000422937949 1096530278 /nfs/dbraw/zinc/53/02/78/1096530278.db2.gz KDLWQNFQCQTJDF-CQSZACIVSA-N 1 3 374.326 4.341 20 0 FIADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 ZINC000422938197 1096530403 /nfs/dbraw/zinc/53/04/03/1096530403.db2.gz GVSDTUOVZVXIBR-WOJBJXKFSA-N 1 3 356.897 4.123 20 0 FIADHO COc1ccc(-c2ccc(CN[C@H](C)c3ccc(C[NH3+])nc3C)cc2)cc1 ZINC000422918031 1096531374 /nfs/dbraw/zinc/53/13/74/1096531374.db2.gz HDGVZZGLRIYIFV-MRXNPFEDSA-N 1 3 361.489 4.375 20 0 FIADHO Clc1cccc2c1CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422943033 1096531753 /nfs/dbraw/zinc/53/17/53/1096531753.db2.gz XOAWDASOTQOTHD-ZJOUEHCJSA-N 1 3 354.881 4.173 20 0 FIADHO COc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC1CCCC1 ZINC000422944419 1096531776 /nfs/dbraw/zinc/53/17/76/1096531776.db2.gz SAKNRAPFVKKBKL-OAHLLOKOSA-N 1 3 369.509 4.030 20 0 FIADHO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422993767 1096542307 /nfs/dbraw/zinc/54/23/07/1096542307.db2.gz GDYXQTIXXUMNKC-MTNREXPMSA-N 1 3 353.510 4.198 20 0 FIADHO Clc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423021798 1096551630 /nfs/dbraw/zinc/55/16/30/1096551630.db2.gz CXHLGRLQGKECLJ-JQHSSLGASA-N 1 3 357.325 4.020 20 0 FIADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423035613 1096556240 /nfs/dbraw/zinc/55/62/40/1096556240.db2.gz SADHWNIFUKZMTA-HNAYVOBHSA-N 1 3 370.368 4.065 20 0 FIADHO FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000503950469 1096602186 /nfs/dbraw/zinc/60/21/86/1096602186.db2.gz UHFIVSARMDGUJI-CENDIDJXSA-N 1 3 364.480 4.037 20 0 FIADHO C[C@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180989 1096606256 /nfs/dbraw/zinc/60/62/56/1096606256.db2.gz BRKDLALWTPEHOZ-KSSFIOAISA-N 1 3 374.326 4.162 20 0 FIADHO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414727761 1096629458 /nfs/dbraw/zinc/62/94/58/1096629458.db2.gz BOBFDISXDLHNGK-KGLIPLIRSA-N 1 3 372.340 4.032 20 0 FIADHO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423300347 1096645341 /nfs/dbraw/zinc/64/53/41/1096645341.db2.gz RJARRCIXGBXMJK-GHMZBOCLSA-N 1 3 368.344 4.126 20 0 FIADHO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414739240 1096668539 /nfs/dbraw/zinc/66/85/39/1096668539.db2.gz PXUZRDQLVRJUMJ-ZIAGYGMSSA-N 1 3 372.340 4.032 20 0 FIADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(F)cc(Br)c1 ZINC000423402168 1096671074 /nfs/dbraw/zinc/67/10/74/1096671074.db2.gz WIXPNCQSOAEPHE-SFHVURJKSA-N 1 3 363.274 4.432 20 0 FIADHO COc1cc(OC)c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000423496702 1096707738 /nfs/dbraw/zinc/70/77/38/1096707738.db2.gz FKDMDSNMELJTKH-RDTXWAMCSA-N 1 3 362.901 4.488 20 0 FIADHO COc1ccc([C@H](NCCC2=CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000423540863 1096716594 /nfs/dbraw/zinc/71/65/94/1096716594.db2.gz QXYKQIJAVJSEOO-NRFANRHFSA-N 1 3 356.897 4.337 20 0 FIADHO COc1cccc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2Cl)c1 ZINC000423542233 1096717621 /nfs/dbraw/zinc/71/76/21/1096717621.db2.gz MEUXNVLJQQEPPS-AYMMHLMVSA-N 1 3 370.924 4.416 20 0 FIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000467352572 1099538082 /nfs/dbraw/zinc/53/80/82/1099538082.db2.gz HXTGFDOOBFGJSW-NRFANRHFSA-N 1 3 356.485 4.453 20 0 FIADHO c1cc2c(s1)CCC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000161937953 1099547818 /nfs/dbraw/zinc/54/78/18/1099547818.db2.gz DCMPOXYECWVJQA-HXUWFJFHSA-N 1 3 356.535 4.390 20 0 FIADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000162498711 1099810736 /nfs/dbraw/zinc/81/07/36/1099810736.db2.gz CXVUWZXMBKUAPO-FQEVSTJZSA-N 1 3 374.912 4.284 20 0 FIADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000162497776 1099811330 /nfs/dbraw/zinc/81/13/30/1099811330.db2.gz URKPEPRFDHYEPR-HNNXBMFYSA-N 1 3 361.555 4.366 20 0 FIADHO CC(C)c1nc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000508693240 1099827102 /nfs/dbraw/zinc/82/71/02/1099827102.db2.gz CPNJAKCBBLYOLJ-IEBWSBKVSA-N 1 3 357.567 4.309 20 0 FIADHO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000517187775 1100159461 /nfs/dbraw/zinc/15/94/61/1100159461.db2.gz YKJJSRKGZYWFHP-LQBOVUBWSA-N 1 3 350.506 4.270 20 0 FIADHO CC[C@H](CSc1ccc(C)c(C)c1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425894017 1100186080 /nfs/dbraw/zinc/18/60/80/1100186080.db2.gz FOFPDAINXSXDPO-GOSISDBHSA-N 1 3 373.566 4.419 20 0 FIADHO COc1ccc([C@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cc1OC ZINC000379625507 1100223120 /nfs/dbraw/zinc/22/31/20/1100223120.db2.gz FTKGDRYMPCTUHC-MSOLQXFVSA-N 1 3 356.510 4.265 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641994 1100262764 /nfs/dbraw/zinc/26/27/64/1100262764.db2.gz DQRXOHMWIOJNEL-XTQVGHSUSA-N 1 3 350.506 4.325 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641994 1100262779 /nfs/dbraw/zinc/26/27/79/1100262779.db2.gz DQRXOHMWIOJNEL-XTQVGHSUSA-N 1 3 350.506 4.325 20 0 FIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536856344 1100371857 /nfs/dbraw/zinc/37/18/57/1100371857.db2.gz FBMUOYAUHUYHBN-ZACQAIPSSA-N 1 3 372.475 4.115 20 0 FIADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000536860372 1100376863 /nfs/dbraw/zinc/37/68/63/1100376863.db2.gz YZWLFHBEWJDTLU-MDZRGWNJSA-N 1 3 370.484 4.218 20 0 FIADHO CCC[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000536948230 1101369623 /nfs/dbraw/zinc/36/96/23/1101369623.db2.gz LBWLKNPDZOHHDB-GOSISDBHSA-N 1 3 351.332 4.364 20 0 FIADHO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537190011 1101541035 /nfs/dbraw/zinc/54/10/35/1101541035.db2.gz OBZABMVZXSLYRQ-DWLFOUALSA-N 1 3 372.553 4.015 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000518801016 1101598264 /nfs/dbraw/zinc/59/82/64/1101598264.db2.gz URYJZJSBAFFVHX-UHFFFAOYSA-N 1 3 372.896 4.071 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(CO)c1 ZINC000121545866 1102413994 /nfs/dbraw/zinc/41/39/94/1102413994.db2.gz SLJVRSUFWVFCDR-LJQANCHMSA-N 1 3 352.522 4.406 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532483213 1102425405 /nfs/dbraw/zinc/42/54/05/1102425405.db2.gz ZALBTJIERXERET-CXUUEIJPSA-N 1 3 369.372 4.304 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532483213 1102425407 /nfs/dbraw/zinc/42/54/07/1102425407.db2.gz ZALBTJIERXERET-CXUUEIJPSA-N 1 3 369.372 4.304 20 0 FIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120026674 1102430196 /nfs/dbraw/zinc/43/01/96/1102430196.db2.gz NYBOMVNQOPYACS-INIZCTEOSA-N 1 3 359.558 4.426 20 0 FIADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550885788 1102657109 /nfs/dbraw/zinc/65/71/09/1102657109.db2.gz JIWFAVASLGRRDV-SKWRMQMOSA-N 1 3 370.581 4.330 20 0 FIADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000550889754 1102661321 /nfs/dbraw/zinc/66/13/21/1102661321.db2.gz CZSLAWDJDWZNAK-FHWLQOOXSA-N 1 3 367.537 4.419 20 0 FIADHO COCCOc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123019123 1102745969 /nfs/dbraw/zinc/74/59/69/1102745969.db2.gz KQUVIUCIOJOQJW-LJQANCHMSA-N 1 3 368.521 4.158 20 0 FIADHO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012508 1102781638 /nfs/dbraw/zinc/78/16/38/1102781638.db2.gz RLIXMRKNMIAUIN-RBUKOAKNSA-N 1 3 359.311 4.374 20 0 FIADHO C[N@H+]1CC[C@H](NCc2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000551012508 1102781653 /nfs/dbraw/zinc/78/16/53/1102781653.db2.gz RLIXMRKNMIAUIN-RBUKOAKNSA-N 1 3 359.311 4.374 20 0 FIADHO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000459358599 1102912477 /nfs/dbraw/zinc/91/24/77/1102912477.db2.gz BKTSKKLISONWFQ-ZMTJCJBESA-N 1 3 362.517 4.353 20 0 FIADHO CC(C)Sc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133011801 1102928586 /nfs/dbraw/zinc/92/85/86/1102928586.db2.gz SHGOWHAWPXISPN-ZWKOTPCHSA-N 1 3 362.583 4.339 20 0 FIADHO CCCCN1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000312368695 1102970782 /nfs/dbraw/zinc/97/07/82/1102970782.db2.gz LZEKEFWMSNBOIP-AWEZNQCLSA-N 1 3 357.361 4.352 20 0 FIADHO C[C@@H](Cc1cccs1)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538295261 1104113314 /nfs/dbraw/zinc/11/33/14/1104113314.db2.gz BILCWCWOROWOPR-LPHOPBHVSA-N 1 3 356.535 4.257 20 0 FIADHO Cc1ccc2cc(CNCc3ccc(OCCC[NH+](C)C)cc3)ccc2n1 ZINC000189314541 1104794556 /nfs/dbraw/zinc/79/45/56/1104794556.db2.gz IKEZHFGHUSXMRP-UHFFFAOYSA-N 1 3 363.505 4.164 20 0 FIADHO Brc1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)s1 ZINC000190582833 1104934172 /nfs/dbraw/zinc/93/41/72/1104934172.db2.gz XLJZIAMMGFUNAK-ZBEGNZNMSA-N 1 3 355.345 4.036 20 0 FIADHO Brc1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)s1 ZINC000190582833 1104934174 /nfs/dbraw/zinc/93/41/74/1104934174.db2.gz XLJZIAMMGFUNAK-ZBEGNZNMSA-N 1 3 355.345 4.036 20 0 FIADHO COc1cccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c1 ZINC001168002034 1104960495 /nfs/dbraw/zinc/96/04/95/1104960495.db2.gz CDEAJMHVFZEQHO-AIZNXBIQSA-N 1 3 368.565 4.355 20 0 FIADHO Clc1ccccc1OC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000444610661 1108018476 /nfs/dbraw/zinc/01/84/76/1108018476.db2.gz DLODYRWKPWQBQX-GOSISDBHSA-N 1 3 350.934 4.307 20 0 FIADHO Clc1ccccc1OC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000444610661 1108018491 /nfs/dbraw/zinc/01/84/91/1108018491.db2.gz DLODYRWKPWQBQX-GOSISDBHSA-N 1 3 350.934 4.307 20 0 FIADHO FCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000453316455 1108405305 /nfs/dbraw/zinc/40/53/05/1108405305.db2.gz WVOFXCWRWJQXOW-BHDDXSALSA-N 1 3 374.544 4.033 20 0 FIADHO COc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC(F)F)c1 ZINC000524457899 1109020762 /nfs/dbraw/zinc/02/07/62/1109020762.db2.gz LAYFRJZDLLSBAO-HZPDHXFCSA-N 1 3 370.484 4.144 20 0 FIADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000524876259 1109187959 /nfs/dbraw/zinc/18/79/59/1109187959.db2.gz QUDXRJRBHHAWQT-OAQYLSRUSA-N 1 3 373.585 4.012 20 0 FIADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1cccc(F)c1 ZINC000446745656 1109327100 /nfs/dbraw/zinc/32/71/00/1109327100.db2.gz SPZGCEKOJFHUJH-QHCPKHFHSA-N 1 3 369.528 4.204 20 0 FIADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428463720 1109406799 /nfs/dbraw/zinc/40/67/99/1109406799.db2.gz PTQNLNLZXMGBPV-VXSCBNMQSA-N 1 3 358.570 4.064 20 0 FIADHO C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000367373270 1109483050 /nfs/dbraw/zinc/48/30/50/1109483050.db2.gz BFYRZWKWNZBQGX-OAHLLOKOSA-N 1 3 360.448 4.289 20 0 FIADHO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525781949 1109516781 /nfs/dbraw/zinc/51/67/81/1109516781.db2.gz VAIXLTUIMXHVJE-IBGZPJMESA-N 1 3 360.448 4.242 20 0 FIADHO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525781949 1109516786 /nfs/dbraw/zinc/51/67/86/1109516786.db2.gz VAIXLTUIMXHVJE-IBGZPJMESA-N 1 3 360.448 4.242 20 0 FIADHO COC[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447563482 1109582829 /nfs/dbraw/zinc/58/28/29/1109582829.db2.gz QAAAYCKXEVCNRD-YCAMKHIRSA-N 1 3 364.533 4.029 20 0 FIADHO COC[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447563482 1109582831 /nfs/dbraw/zinc/58/28/31/1109582831.db2.gz QAAAYCKXEVCNRD-YCAMKHIRSA-N 1 3 364.533 4.029 20 0 FIADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)OC)c1 ZINC000527732914 1109813825 /nfs/dbraw/zinc/81/38/25/1109813825.db2.gz BOGCHZXLPSRYPP-JZWVFAODSA-N 1 3 368.521 4.025 20 0 FIADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)OC)c1 ZINC000527732914 1109813830 /nfs/dbraw/zinc/81/38/30/1109813830.db2.gz BOGCHZXLPSRYPP-JZWVFAODSA-N 1 3 368.521 4.025 20 0 FIADHO C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000527969785 1109877719 /nfs/dbraw/zinc/87/77/19/1109877719.db2.gz RMEWOXMBZXMFOW-JTSKRJEESA-N 1 3 353.510 4.214 20 0 FIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC000449100220 1109975981 /nfs/dbraw/zinc/97/59/81/1109975981.db2.gz QBIJWSMFHJBGQB-UHFFFAOYSA-N 1 3 368.521 4.368 20 0 FIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC000449100220 1109975984 /nfs/dbraw/zinc/97/59/84/1109975984.db2.gz QBIJWSMFHJBGQB-UHFFFAOYSA-N 1 3 368.521 4.368 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc3c(OC)cccc23)[C@H](C)C1 ZINC000449137082 1109983744 /nfs/dbraw/zinc/98/37/44/1109983744.db2.gz DJJXNOLKXCRUQB-GCJKJVERSA-N 1 3 370.537 4.075 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc3c(OC)cccc23)[C@H](C)C1 ZINC000449137082 1109983746 /nfs/dbraw/zinc/98/37/46/1109983746.db2.gz DJJXNOLKXCRUQB-GCJKJVERSA-N 1 3 370.537 4.075 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H](CCO)c2ccccc2)CC1 ZINC000449164567 1109990374 /nfs/dbraw/zinc/99/03/74/1109990374.db2.gz ZPTOHXKVOGJKOB-HXUWFJFHSA-N 1 3 360.586 4.421 20 0 FIADHO Cc1ccc(OCc2nc(CNC(C)(C)CCC[NH+](C)C)cs2)cc1 ZINC000449529254 1110096043 /nfs/dbraw/zinc/09/60/43/1110096043.db2.gz VVSCPUFGZBBPOP-UHFFFAOYSA-N 1 3 361.555 4.241 20 0 FIADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000538409034 1111129855 /nfs/dbraw/zinc/12/98/55/1111129855.db2.gz AUTFZFKDQKJTMX-XPWALMASSA-N 1 3 356.554 4.275 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000539260745 1111498077 /nfs/dbraw/zinc/49/80/77/1111498077.db2.gz HGIFUDCIVZITRY-FCEWJHQRSA-N 1 3 366.933 4.033 20 0 FIADHO COC[C@@H](NCC1CC[NH+](CCC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000539316842 1111509986 /nfs/dbraw/zinc/50/99/86/1111509986.db2.gz IYBLYFTWHXFMOA-HXUWFJFHSA-N 1 3 354.485 4.000 20 0 FIADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCc3ccccc31)c1ccccc1O2 ZINC000539396677 1111552753 /nfs/dbraw/zinc/55/27/53/1111552753.db2.gz MLBCNNOPGHAKSZ-DENIHFKCSA-N 1 3 362.517 4.294 20 0 FIADHO CCOc1cc2nccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OCC ZINC000553295037 1111942605 /nfs/dbraw/zinc/94/26/05/1111942605.db2.gz CNOWWOIISYFIRR-SJPCQFCGSA-N 1 3 369.509 4.094 20 0 FIADHO CCOc1cc2nccc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OCC ZINC000553295037 1111942606 /nfs/dbraw/zinc/94/26/06/1111942606.db2.gz CNOWWOIISYFIRR-SJPCQFCGSA-N 1 3 369.509 4.094 20 0 FIADHO Brc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000479072525 1111944105 /nfs/dbraw/zinc/94/41/05/1111944105.db2.gz BRSRTJXNKVEVKC-IBGZPJMESA-N 1 3 363.343 4.433 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000479290018 1111986396 /nfs/dbraw/zinc/98/63/96/1111986396.db2.gz XFGXJRFNDLCHCK-WBVHZDCISA-N 1 3 353.348 4.090 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463033 1112033591 /nfs/dbraw/zinc/03/35/91/1112033591.db2.gz HUWVMKYEFSKFQQ-PZJWPPBQSA-N 1 3 366.505 4.021 20 0 FIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000479463033 1112033594 /nfs/dbraw/zinc/03/35/94/1112033594.db2.gz HUWVMKYEFSKFQQ-PZJWPPBQSA-N 1 3 366.505 4.021 20 0 FIADHO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000480159995 1112307915 /nfs/dbraw/zinc/30/79/15/1112307915.db2.gz NJZFGNKAAXCKGU-KRWDZBQOSA-N 1 3 359.514 4.402 20 0 FIADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3ccc(OCC4CC4)cc3)C2)cc1 ZINC000480369855 1112407884 /nfs/dbraw/zinc/40/78/84/1112407884.db2.gz JJGZCEGZMWIBRO-QHCPKHFHSA-N 1 3 364.533 4.130 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000480657193 1112533336 /nfs/dbraw/zinc/53/33/36/1112533336.db2.gz DNXPZIPSHIGRGC-IBGZPJMESA-N 1 3 366.553 4.202 20 0 FIADHO CCN(C)c1ccc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000480657193 1112533339 /nfs/dbraw/zinc/53/33/39/1112533339.db2.gz DNXPZIPSHIGRGC-IBGZPJMESA-N 1 3 366.553 4.202 20 0 FIADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc(F)cc1 ZINC000480733669 1112569334 /nfs/dbraw/zinc/56/93/34/1112569334.db2.gz USLFSESKXIZJJY-QHCPKHFHSA-N 1 3 369.528 4.204 20 0 FIADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2ccccc2c1 ZINC000480888680 1112648773 /nfs/dbraw/zinc/64/87/73/1112648773.db2.gz IRRUSFDGIUBZMR-FQEVSTJZSA-N 1 3 373.544 4.438 20 0 FIADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000481304498 1112877707 /nfs/dbraw/zinc/87/77/07/1112877707.db2.gz HRCVNHQQYIHBDA-GOSISDBHSA-N 1 3 350.506 4.340 20 0 FIADHO CN1CCC[C@H]1CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732138 1113059338 /nfs/dbraw/zinc/05/93/38/1113059338.db2.gz DWZRYNCQVUZFRU-IRXDYDNUSA-N 1 3 355.295 4.113 20 0 FIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000481941121 1113135197 /nfs/dbraw/zinc/13/51/97/1113135197.db2.gz AEBVUGYUURKJRA-KRWDZBQOSA-N 1 3 360.546 4.132 20 0 FIADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127661 1113183921 /nfs/dbraw/zinc/18/39/21/1113183921.db2.gz ORJIPHNLNIBYTG-HTAPYJJXSA-N 1 3 350.506 4.108 20 0 FIADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000482127661 1113183925 /nfs/dbraw/zinc/18/39/25/1113183925.db2.gz ORJIPHNLNIBYTG-HTAPYJJXSA-N 1 3 350.506 4.108 20 0 FIADHO c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CCCOc4ccccc43)C2)c1 ZINC000482131243 1113184684 /nfs/dbraw/zinc/18/46/84/1113184684.db2.gz WWAVYYGBNOUZGL-XLIONFOSSA-N 1 3 356.535 4.464 20 0 FIADHO c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3CCCOc4ccccc43)C2)c1 ZINC000482131243 1113184686 /nfs/dbraw/zinc/18/46/86/1113184686.db2.gz WWAVYYGBNOUZGL-XLIONFOSSA-N 1 3 356.535 4.464 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000482333083 1113228143 /nfs/dbraw/zinc/22/81/43/1113228143.db2.gz ZCYABYSJPOXUOV-HZPDHXFCSA-N 1 3 358.448 4.399 20 0 FIADHO CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000483183255 1113459188 /nfs/dbraw/zinc/45/91/88/1113459188.db2.gz JFHQAMIMBAFLJD-QFBILLFUSA-N 1 3 362.562 4.234 20 0 FIADHO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486487857 1113579740 /nfs/dbraw/zinc/57/97/40/1113579740.db2.gz KNNYKMKWXKOREK-LPHOPBHVSA-N 1 3 360.448 4.288 20 0 FIADHO CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486532975 1113589740 /nfs/dbraw/zinc/58/97/40/1113589740.db2.gz GZAUMMNTMSSFNW-HKUYNNGSSA-N 1 3 357.567 4.342 20 0 FIADHO CCCOc1cccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000488478390 1113936147 /nfs/dbraw/zinc/93/61/47/1113936147.db2.gz CIHLPLDDUJXEST-JOCHJYFZSA-N 1 3 352.522 4.130 20 0 FIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000489652646 1114145661 /nfs/dbraw/zinc/14/56/61/1114145661.db2.gz XMSJEBBOBMARDL-UHFFFAOYSA-N 1 3 374.532 4.216 20 0 FIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000489652646 1114145663 /nfs/dbraw/zinc/14/56/63/1114145663.db2.gz XMSJEBBOBMARDL-UHFFFAOYSA-N 1 3 374.532 4.216 20 0 FIADHO COc1ccc(OC)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489650215 1114150249 /nfs/dbraw/zinc/15/02/49/1114150249.db2.gz QJMSZONFEOGQJF-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1ccc(OC)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489650215 1114150252 /nfs/dbraw/zinc/15/02/52/1114150252.db2.gz QJMSZONFEOGQJF-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571781266 1114537488 /nfs/dbraw/zinc/53/74/88/1114537488.db2.gz RIPCKNWKOGBYRM-BAGYTPMASA-N 1 3 370.581 4.330 20 0 FIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000592464466 1115234886 /nfs/dbraw/zinc/23/48/86/1115234886.db2.gz TVFOBBHDDUJJAR-UHFFFAOYSA-N 1 3 368.912 4.218 20 0 FIADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000593608245 1115335352 /nfs/dbraw/zinc/33/53/52/1115335352.db2.gz KPHSEZSZLBULDB-KRWDZBQOSA-N 1 3 352.563 4.131 20 0 FIADHO CSC1(CN[C@@H](C)c2ccc(-c3ccccc3)cn2)CC[NH+](C)CC1 ZINC000593630416 1115336659 /nfs/dbraw/zinc/33/66/59/1115336659.db2.gz NQNIZEBQJMAPJG-KRWDZBQOSA-N 1 3 355.551 4.227 20 0 FIADHO COc1c(C)cc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000062426472 1115925876 /nfs/dbraw/zinc/92/58/76/1115925876.db2.gz UAMWNASKRXVXJV-OAQYLSRUSA-N 1 3 352.522 4.314 20 0 FIADHO COc1c(C)cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000062426472 1115925878 /nfs/dbraw/zinc/92/58/78/1115925878.db2.gz UAMWNASKRXVXJV-OAQYLSRUSA-N 1 3 352.522 4.314 20 0 FIADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000534793791 1116237501 /nfs/dbraw/zinc/23/75/01/1116237501.db2.gz PRHPDXBFRUDQNU-BDJLRTHQSA-N 1 3 357.723 4.021 20 0 FIADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535083315 1116265978 /nfs/dbraw/zinc/26/59/78/1116265978.db2.gz WQMDAEGZFVDRJF-UHFFFAOYSA-N 1 3 368.569 4.100 20 0 FIADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535083315 1116265981 /nfs/dbraw/zinc/26/59/81/1116265981.db2.gz WQMDAEGZFVDRJF-UHFFFAOYSA-N 1 3 368.569 4.100 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000462784366 1117762514 /nfs/dbraw/zinc/76/25/14/1117762514.db2.gz DZHZBQHUJSJJMX-HOTGVXAUSA-N 1 3 374.326 4.075 20 0 FIADHO Cc1nc2ccc(Br)cc2c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000462784366 1117762516 /nfs/dbraw/zinc/76/25/16/1117762516.db2.gz DZHZBQHUJSJJMX-HOTGVXAUSA-N 1 3 374.326 4.075 20 0 FIADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000540173119 1117913428 /nfs/dbraw/zinc/91/34/28/1117913428.db2.gz CVEPVEROSQGXDF-BBWFWOEESA-N 1 3 370.484 4.136 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[C@@H](C)O1 ZINC000540175434 1117915680 /nfs/dbraw/zinc/91/56/80/1117915680.db2.gz IJWNCXBTOIOHQF-GPMSIDNRSA-N 1 3 366.933 4.033 20 0 FIADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C[C@@H](C)O1 ZINC000540175437 1117915826 /nfs/dbraw/zinc/91/58/26/1117915826.db2.gz IJWNCXBTOIOHQF-MDZRGWNJSA-N 1 3 366.933 4.033 20 0 FIADHO C[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)CN1CCCCC1 ZINC000463073767 1117957706 /nfs/dbraw/zinc/95/77/06/1117957706.db2.gz XOUKKXGQBHUPAV-GOSISDBHSA-N 1 3 363.977 4.016 20 0 FIADHO COc1ccc([C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302004 1117976764 /nfs/dbraw/zinc/97/67/64/1117976764.db2.gz MHHQNCUBVRHZEM-YKSBVNFPSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302004 1117976768 /nfs/dbraw/zinc/97/67/68/1117976768.db2.gz MHHQNCUBVRHZEM-YKSBVNFPSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302004 1117976770 /nfs/dbraw/zinc/97/67/70/1117976770.db2.gz MHHQNCUBVRHZEM-YKSBVNFPSA-N 1 3 364.533 4.301 20 0 FIADHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000463120470 1117979244 /nfs/dbraw/zinc/97/92/44/1117979244.db2.gz VYRKYIMYTZSIKZ-QDSKXPNFSA-N 1 3 365.565 4.240 20 0 FIADHO C[C@@H]1CCCC[C@H]1OCCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000540475538 1118078150 /nfs/dbraw/zinc/07/81/50/1118078150.db2.gz NUQIKHOWSDQYTG-HMXCVIKNSA-N 1 3 372.553 4.160 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778303 1118240949 /nfs/dbraw/zinc/24/09/49/1118240949.db2.gz HWGASQFLBXCVKT-UXHICEINSA-N 1 3 367.940 4.077 20 0 FIADHO C[NH+](C)CCOc1ccc(CCN[C@H](c2ccco2)c2ccccc2)cc1 ZINC000541544598 1118550009 /nfs/dbraw/zinc/55/00/09/1118550009.db2.gz WXSMVSSPHKZGRP-QHCPKHFHSA-N 1 3 364.489 4.142 20 0 FIADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000173365928 1119035501 /nfs/dbraw/zinc/03/55/01/1119035501.db2.gz UXVBXSFZQAFIQB-IAGOWNOFSA-N 1 3 374.550 4.328 20 0 FIADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000173365928 1119035505 /nfs/dbraw/zinc/03/55/05/1119035505.db2.gz UXVBXSFZQAFIQB-IAGOWNOFSA-N 1 3 374.550 4.328 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2sc(C)nc2C)cc1 ZINC000178131330 1119373044 /nfs/dbraw/zinc/37/30/44/1119373044.db2.gz IAQDODLVUNMVBA-HNNXBMFYSA-N 1 3 361.555 4.331 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000311493634 1119376912 /nfs/dbraw/zinc/37/69/12/1119376912.db2.gz KDEPGAVFBZOWDW-CVDCTZTESA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000311493634 1119376916 /nfs/dbraw/zinc/37/69/16/1119376916.db2.gz KDEPGAVFBZOWDW-CVDCTZTESA-N 1 3 350.506 4.184 20 0 FIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493923711 1119509500 /nfs/dbraw/zinc/50/95/00/1119509500.db2.gz DKJNDPWZBOCARB-CCRGXQTGSA-N 1 3 351.332 4.158 20 0 FIADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493935285 1119511955 /nfs/dbraw/zinc/51/19/55/1119511955.db2.gz HZUOJBCBPKFGMR-DMKPSLHHSA-N 1 3 365.359 4.405 20 0 FIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(N(C)C(C)C)nc2)c1 ZINC000190789716 1119949293 /nfs/dbraw/zinc/94/92/93/1119949293.db2.gz GVWSETAIBAPKJD-UHFFFAOYSA-N 1 3 354.542 4.058 20 0 FIADHO CC(C)N(C)c1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000190889718 1119952422 /nfs/dbraw/zinc/95/24/22/1119952422.db2.gz FCDUSSXPLWGVNF-UHFFFAOYSA-N 1 3 354.542 4.056 20 0 FIADHO CC(C)N(C)c1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000190889718 1119952423 /nfs/dbraw/zinc/95/24/23/1119952423.db2.gz FCDUSSXPLWGVNF-UHFFFAOYSA-N 1 3 354.542 4.056 20 0 FIADHO COc1ccc([C@H]2CCCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000191401601 1119975414 /nfs/dbraw/zinc/97/54/14/1119975414.db2.gz ZNKHXVMLUGWKNU-HSZRJFAPSA-N 1 3 373.585 4.028 20 0 FIADHO COc1ccc([C@H]2CCCCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000191401601 1119975415 /nfs/dbraw/zinc/97/54/15/1119975415.db2.gz ZNKHXVMLUGWKNU-HSZRJFAPSA-N 1 3 373.585 4.028 20 0 FIADHO CC[NH+](CC)Cc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1 ZINC000191583611 1119985309 /nfs/dbraw/zinc/98/53/09/1119985309.db2.gz HYMMEMOYBYAICQ-UHFFFAOYSA-N 1 3 357.464 4.357 20 0 FIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cc(Br)cs1 ZINC000193950092 1120218491 /nfs/dbraw/zinc/21/84/91/1120218491.db2.gz IQRLZCNRWUHPPQ-LBPRGKRZSA-N 1 3 353.329 4.423 20 0 FIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc(Br)cs1 ZINC000193957679 1120219399 /nfs/dbraw/zinc/21/93/99/1120219399.db2.gz OOARRRYFNNEKLW-GFCCVEGCSA-N 1 3 353.329 4.423 20 0 FIADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650769 1120945497 /nfs/dbraw/zinc/94/54/97/1120945497.db2.gz RPZMGOZUPOVLEI-HUUCEWRRSA-N 1 3 358.498 4.153 20 0 FIADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000762650769 1120945499 /nfs/dbraw/zinc/94/54/99/1120945499.db2.gz RPZMGOZUPOVLEI-HUUCEWRRSA-N 1 3 358.498 4.153 20 0 FIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC[C@@H]3CCCN3C)s2)cc1 ZINC000542572383 1120965891 /nfs/dbraw/zinc/96/58/91/1120965891.db2.gz FBUZOMGFDGSVND-PBHICJAKSA-N 1 3 359.539 4.262 20 0 FIADHO CCCN1CCC([NH2+]Cc2cccc(COCc3ccccc3)c2)CC1 ZINC000155052613 1121175202 /nfs/dbraw/zinc/17/52/02/1121175202.db2.gz UVKAKOOKOLFPCU-UHFFFAOYSA-N 1 3 352.522 4.367 20 0 FIADHO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542595999 1121586461 /nfs/dbraw/zinc/58/64/61/1121586461.db2.gz PSIUBPWAKMNYFW-FQEVSTJZSA-N 1 3 363.977 4.141 20 0 FIADHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccc2c(c1)OCCO2 ZINC000123923328 1121646974 /nfs/dbraw/zinc/64/69/74/1121646974.db2.gz JPPZNHJZUYXFQP-FQEVSTJZSA-N 1 3 354.494 4.150 20 0 FIADHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccc2c(c1)OCCO2 ZINC000123923328 1121646985 /nfs/dbraw/zinc/64/69/85/1121646985.db2.gz JPPZNHJZUYXFQP-FQEVSTJZSA-N 1 3 354.494 4.150 20 0 FIADHO CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCN(CC)C[C@H]3C)ccn2)cc1 ZINC000124956370 1121734767 /nfs/dbraw/zinc/73/47/67/1121734767.db2.gz WTXSMVXPNVYEBO-UTKZUKDTSA-N 1 3 369.509 4.093 20 0 FIADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000125802110 1121840975 /nfs/dbraw/zinc/84/09/75/1121840975.db2.gz HHPSNINGHSDYAY-GOSISDBHSA-N 1 3 363.977 4.014 20 0 FIADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000125895278 1121863438 /nfs/dbraw/zinc/86/34/38/1121863438.db2.gz JXZSWGRMBAHIIS-YLJYHZDGSA-N 1 3 372.557 4.016 20 0 FIADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008896 1121997458 /nfs/dbraw/zinc/99/74/58/1121997458.db2.gz USPYFVWZCSGBGR-HRAATJIYSA-N 1 3 374.475 4.020 20 0 FIADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC[C@@H](O)c3c(F)cccc3F)cc2)C1 ZINC000917008896 1121997464 /nfs/dbraw/zinc/99/74/64/1121997464.db2.gz USPYFVWZCSGBGR-HRAATJIYSA-N 1 3 374.475 4.020 20 0 FIADHO FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(C(F)(F)F)c1 ZINC000129473411 1122610352 /nfs/dbraw/zinc/61/03/52/1122610352.db2.gz CWUGMMVQUPMBBT-NSHDSACASA-N 1 3 366.349 4.298 20 0 FIADHO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c2ccccc21 ZINC000556077398 1122639823 /nfs/dbraw/zinc/63/98/23/1122639823.db2.gz XOSIZRYEMAOYPE-KRWDZBQOSA-N 1 3 356.485 4.275 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556129891 1122676712 /nfs/dbraw/zinc/67/67/12/1122676712.db2.gz IKGNYQOGTMUNPF-DBXVSBKESA-N 1 3 356.485 4.327 20 0 FIADHO CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556129891 1122676717 /nfs/dbraw/zinc/67/67/17/1122676717.db2.gz IKGNYQOGTMUNPF-DBXVSBKESA-N 1 3 356.485 4.327 20 0 FIADHO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231514 1122748918 /nfs/dbraw/zinc/74/89/18/1122748918.db2.gz WFPYVTVTSFAHED-RBBKRZOGSA-N 1 3 358.570 4.330 20 0 FIADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556230733 1122757062 /nfs/dbraw/zinc/75/70/62/1122757062.db2.gz ANFIPZXFMCDWRS-ZLNRFVROSA-N 1 3 370.581 4.474 20 0 FIADHO CCCOc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000556430808 1122886685 /nfs/dbraw/zinc/88/66/85/1122886685.db2.gz RWTZSSSZZJPOSH-UHFFFAOYSA-N 1 3 368.521 4.238 20 0 FIADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000072725481 1123133459 /nfs/dbraw/zinc/13/34/59/1123133459.db2.gz SGQPNZQQQVLVRT-AWEZNQCLSA-N 1 3 372.340 4.128 20 0 FIADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000072725481 1123133460 /nfs/dbraw/zinc/13/34/60/1123133460.db2.gz SGQPNZQQQVLVRT-AWEZNQCLSA-N 1 3 372.340 4.128 20 0 FIADHO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000237783066 1123657610 /nfs/dbraw/zinc/65/76/10/1123657610.db2.gz OZESRWCPGLZNJT-VDVULAQNSA-N 1 3 368.521 4.302 20 0 FIADHO CCc1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000245702193 1124209926 /nfs/dbraw/zinc/20/99/26/1124209926.db2.gz MAHBLWOIVAUIIR-OWZKRDHZSA-N 1 3 355.551 4.033 20 0 FIADHO CCc1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000245702193 1124209931 /nfs/dbraw/zinc/20/99/31/1124209931.db2.gz MAHBLWOIVAUIIR-OWZKRDHZSA-N 1 3 355.551 4.033 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000765881161 1124326870 /nfs/dbraw/zinc/32/68/70/1124326870.db2.gz NMYMKODQZMAEFV-WVQWTBLQSA-N 1 3 374.528 4.373 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000765881161 1124326877 /nfs/dbraw/zinc/32/68/77/1124326877.db2.gz NMYMKODQZMAEFV-WVQWTBLQSA-N 1 3 374.528 4.373 20 0 FIADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000542848570 1124448846 /nfs/dbraw/zinc/44/88/46/1124448846.db2.gz RWLYHQQSGKKLPQ-PGRDOPGGSA-N 1 3 370.924 4.074 20 0 FIADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCc2c1cccc2Cl ZINC000542848570 1124448849 /nfs/dbraw/zinc/44/88/49/1124448849.db2.gz RWLYHQQSGKKLPQ-PGRDOPGGSA-N 1 3 370.924 4.074 20 0 FIADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)s1 ZINC000246473357 1124509319 /nfs/dbraw/zinc/50/93/19/1124509319.db2.gz QQPVVNUPXDFGNO-HRCADAONSA-N 1 3 356.963 4.210 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000247449213 1124709027 /nfs/dbraw/zinc/70/90/27/1124709027.db2.gz YVNKMZIRSOTVBU-RTBURBONSA-N 1 3 354.542 4.281 20 0 FIADHO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000247449213 1124709030 /nfs/dbraw/zinc/70/90/30/1124709030.db2.gz YVNKMZIRSOTVBU-RTBURBONSA-N 1 3 354.542 4.281 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCOC5(CCCC5)C4)[C@H]3C2)cc1 ZINC000248394686 1124760271 /nfs/dbraw/zinc/76/02/71/1124760271.db2.gz FSSFORPZGSYMIX-MLCQCVOFSA-N 1 3 368.565 4.369 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000248444569 1124769561 /nfs/dbraw/zinc/76/95/61/1124769561.db2.gz MCBOYSBVGUGYKN-NJYVYQBISA-N 1 3 366.496 4.019 20 0 FIADHO c1ccc(CN2CCC[C@@H](C[NH2+]Cc3ccccc3OCC3CC3)C2)cc1 ZINC000062426495 1124809857 /nfs/dbraw/zinc/80/98/57/1124809857.db2.gz NKUXDOPXRCRWFY-QFIPXVFZSA-N 1 3 364.533 4.477 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000248913061 1124827856 /nfs/dbraw/zinc/82/78/56/1124827856.db2.gz VRQYRZLSQRZEDT-MTNREXPMSA-N 1 3 374.569 4.282 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3Br)c1 ZINC000091281257 1125060647 /nfs/dbraw/zinc/06/06/47/1125060647.db2.gz KUTMGRGMJBTDCB-IBGZPJMESA-N 1 3 359.311 4.288 20 0 FIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000091281256 1125060877 /nfs/dbraw/zinc/06/08/77/1125060877.db2.gz KUTMGRGMJBTDCB-LJQANCHMSA-N 1 3 359.311 4.288 20 0 FIADHO CCN1CCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000091285093 1125061530 /nfs/dbraw/zinc/06/15/30/1125061530.db2.gz UMNSKCCKPYBTPY-LJQANCHMSA-N 1 3 371.491 4.020 20 0 FIADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1nc2ccccc2n1C ZINC000091403723 1125070444 /nfs/dbraw/zinc/07/04/44/1125070444.db2.gz QSGFHNHAARHYEM-VIQWUECVSA-N 1 3 354.542 4.267 20 0 FIADHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cc(C)ccc1OC ZINC000093399091 1125319165 /nfs/dbraw/zinc/31/91/65/1125319165.db2.gz SKBLFVHHFBCZRX-OAQYLSRUSA-N 1 3 356.510 4.185 20 0 FIADHO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000544827690 1079544525 /nfs/dbraw/zinc/54/45/25/1079544525.db2.gz IJWKWLVUTXJVKL-MGPUTAFESA-N 1 3 350.934 4.413 20 0 FIADHO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC001648785836 1079569175 /nfs/dbraw/zinc/56/91/75/1079569175.db2.gz HSNLNFXWOWAOLG-HYBUGGRVSA-N 1 3 363.549 4.287 20 0 FIADHO CCCN1CCC([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000683140862 1079669297 /nfs/dbraw/zinc/66/92/97/1079669297.db2.gz NTVJTDFPGPQKSH-UHFFFAOYSA-N 1 3 356.485 4.369 20 0 FIADHO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC ZINC000312519845 1080965303 /nfs/dbraw/zinc/96/53/03/1080965303.db2.gz OIRGYUJSQYDGPM-GHTZIAJQSA-N 1 3 368.521 4.094 20 0 FIADHO CC(C)(C)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397534212 1081187055 /nfs/dbraw/zinc/18/70/55/1081187055.db2.gz GNTXQQNPZIUERT-UHFFFAOYSA-N 1 3 366.549 4.101 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCC(C)(C)CC3)cc2)CC1 ZINC001648815010 1081227839 /nfs/dbraw/zinc/22/78/39/1081227839.db2.gz YDWVDZNOUBMNIP-QFIPXVFZSA-N 1 3 357.586 4.273 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000683816223 1081618321 /nfs/dbraw/zinc/61/83/21/1081618321.db2.gz NBZSUICJKYXKQM-WPYKKVEZSA-N 1 3 352.522 4.264 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000683816223 1081618326 /nfs/dbraw/zinc/61/83/26/1081618326.db2.gz NBZSUICJKYXKQM-WPYKKVEZSA-N 1 3 352.522 4.264 20 0 FIADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638071 1082060699 /nfs/dbraw/zinc/06/06/99/1082060699.db2.gz QAHCDRGUGOSIFU-SIKLNZKXSA-N 1 3 367.537 4.049 20 0 FIADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1OCc1ccccn1 ZINC000580638071 1082060705 /nfs/dbraw/zinc/06/07/05/1082060705.db2.gz QAHCDRGUGOSIFU-SIKLNZKXSA-N 1 3 367.537 4.049 20 0 FIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000471611344 1082093074 /nfs/dbraw/zinc/09/30/74/1082093074.db2.gz PPQLEUZMJRRHCA-FDFHNCONSA-N 1 3 356.554 4.038 20 0 FIADHO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312974723 1082108886 /nfs/dbraw/zinc/10/88/86/1082108886.db2.gz KSVRTPXZODJCHA-NPPFBWRTSA-N 1 3 365.521 4.206 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(Cl)c1 ZINC000656683963 1082717671 /nfs/dbraw/zinc/71/76/71/1082717671.db2.gz QUZCTRLDRFIZOP-HNNXBMFYSA-N 1 3 361.892 4.437 20 0 FIADHO CCCN1CCC([NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000075734262 1082722591 /nfs/dbraw/zinc/72/25/91/1082722591.db2.gz INANNMUMHDDTBC-UHFFFAOYSA-N 1 3 367.537 4.241 20 0 FIADHO Cc1ncc([C@H](C)[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000090401644 1082765571 /nfs/dbraw/zinc/76/55/71/1082765571.db2.gz UXJXBVNWALDMND-SFHVURJKSA-N 1 3 372.582 4.013 20 0 FIADHO Fc1ccc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000656784356 1082768300 /nfs/dbraw/zinc/76/83/00/1082768300.db2.gz CPTFGGAWLLLILN-KRWDZBQOSA-N 1 3 359.514 4.161 20 0 FIADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000684394903 1082828511 /nfs/dbraw/zinc/82/85/11/1082828511.db2.gz OAHLTNVATQNGQA-TZRRMPRUSA-N 1 3 363.549 4.213 20 0 FIADHO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000658319517 1083405663 /nfs/dbraw/zinc/40/56/63/1083405663.db2.gz DSRAMHYCPDJCHQ-VQIMIIECSA-N 1 3 355.551 4.404 20 0 FIADHO CCC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548483511 1083467953 /nfs/dbraw/zinc/46/79/53/1083467953.db2.gz ATFUGWZMQXYKNF-WIYYLYMNSA-N 1 3 365.521 4.035 20 0 FIADHO Cc1cc(NC(=O)c2oc3ccccc3c2CN(C)C)ccc1C[NH+](C)C ZINC000458288068 1083804508 /nfs/dbraw/zinc/80/45/08/1083804508.db2.gz PVKDAOQXCWMAJE-UHFFFAOYSA-N 1 3 365.477 4.117 20 0 FIADHO C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000181323629 1083865902 /nfs/dbraw/zinc/86/59/02/1083865902.db2.gz QPOXMXQRYIWFIJ-HRAATJIYSA-N 1 3 372.484 4.331 20 0 FIADHO CC[N@H+](Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1)C(C)C ZINC000511029338 1084256732 /nfs/dbraw/zinc/25/67/32/1084256732.db2.gz LZUVTIMSRMGELD-UHFFFAOYSA-N 1 3 373.585 4.109 20 0 FIADHO CC[N@@H+](Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1)C(C)C ZINC000511029338 1084256749 /nfs/dbraw/zinc/25/67/49/1084256749.db2.gz LZUVTIMSRMGELD-UHFFFAOYSA-N 1 3 373.585 4.109 20 0 FIADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(OCC[NH+](C)C)cc1 ZINC000613274011 1084533218 /nfs/dbraw/zinc/53/32/18/1084533218.db2.gz SOSCXDCFJNSSNL-FQEVSTJZSA-N 1 3 356.510 4.332 20 0 FIADHO CCC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000414295678 1084986969 /nfs/dbraw/zinc/98/69/69/1084986969.db2.gz DLXGSGCGXCTKIR-HXUWFJFHSA-N 1 3 358.551 4.206 20 0 FIADHO O[C@H](C[C@H]1CCCCCN1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161401238 1085002442 /nfs/dbraw/zinc/00/24/42/1085002442.db2.gz KUFUJPWLNSLKDW-RTBURBONSA-N 1 3 350.572 4.292 20 0 FIADHO CSc1ccccc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414306239 1085006917 /nfs/dbraw/zinc/00/69/17/1085006917.db2.gz NYDFGBOBIILWTO-SFHVURJKSA-N 1 3 370.562 4.086 20 0 FIADHO CSc1ccccc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414306236 1085007708 /nfs/dbraw/zinc/00/77/08/1085007708.db2.gz NYDFGBOBIILWTO-GOSISDBHSA-N 1 3 370.562 4.086 20 0 FIADHO Clc1scc(CNCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000657537797 1085460686 /nfs/dbraw/zinc/46/06/86/1085460686.db2.gz SWJBOTXSJTVGOV-UHFFFAOYSA-N 1 3 363.354 4.036 20 0 FIADHO CC(C)COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613126 1085691489 /nfs/dbraw/zinc/69/14/89/1085691489.db2.gz WHWDHKVUXFHXNP-UHFFFAOYSA-N 1 3 367.537 4.118 20 0 FIADHO C[C@H](CCc1ccccc1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613934 1085699452 /nfs/dbraw/zinc/69/94/52/1085699452.db2.gz XPHKIHVQWMDPLI-HXUWFJFHSA-N 1 3 351.538 4.152 20 0 FIADHO C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350241 1085927812 /nfs/dbraw/zinc/92/78/12/1085927812.db2.gz NITLCHURBBOOLQ-VAGZCVSGSA-N 1 3 357.325 4.273 20 0 FIADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351491 1085937302 /nfs/dbraw/zinc/93/73/02/1085937302.db2.gz ABSRUFKJRPBAIS-NYDSKATKSA-N 1 3 363.505 4.061 20 0 FIADHO C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc(F)cc(F)c1 ZINC000583135294 1086258374 /nfs/dbraw/zinc/25/83/74/1086258374.db2.gz VMRCMQRPRCZVJV-HNNXBMFYSA-N 1 3 360.448 4.289 20 0 FIADHO CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3NCc4ccccc43)cc2)CC1 ZINC000662387513 1086429271 /nfs/dbraw/zinc/42/92/71/1086429271.db2.gz GXSXGLYROWQQRG-QFIPXVFZSA-N 1 3 363.505 4.092 20 0 FIADHO Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3CNCCC3(F)F)cs2)cs1 ZINC000925780589 1086598396 /nfs/dbraw/zinc/59/83/96/1086598396.db2.gz FXMUCZMDMRZDPZ-GWCFXTLKSA-N 1 3 357.495 4.075 20 0 FIADHO COc1ccccc1[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432407066 1086728633 /nfs/dbraw/zinc/72/86/33/1086728633.db2.gz JYTXBMDEGLXHNT-GCJKJVERSA-N 1 3 360.542 4.017 20 0 FIADHO COc1ccccc1[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432407066 1086728639 /nfs/dbraw/zinc/72/86/39/1086728639.db2.gz JYTXBMDEGLXHNT-GCJKJVERSA-N 1 3 360.542 4.017 20 0 FIADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417746 1086741030 /nfs/dbraw/zinc/74/10/30/1086741030.db2.gz OCUPKKHYLDFVPP-JKSUJKDBSA-N 1 3 372.525 4.195 20 0 FIADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000432417746 1086741039 /nfs/dbraw/zinc/74/10/39/1086741039.db2.gz OCUPKKHYLDFVPP-JKSUJKDBSA-N 1 3 372.525 4.195 20 0 FIADHO CCCN1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432418034 1086744178 /nfs/dbraw/zinc/74/41/78/1086744178.db2.gz YCRXEVQBDMFSSX-NXVRBGIVSA-N 1 3 351.332 4.017 20 0 FIADHO CCC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CCOCC1 ZINC000657771794 1086819318 /nfs/dbraw/zinc/81/93/18/1086819318.db2.gz GHBSADMVUYWFMB-NRFANRHFSA-N 1 3 356.554 4.085 20 0 FIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000650757039 1086969601 /nfs/dbraw/zinc/96/96/01/1086969601.db2.gz NNBHWRSFMBMWIN-JOCHJYFZSA-N 1 3 350.506 4.288 20 0 FIADHO c1cc(Sc2ccccn2)oc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813567 1087078494 /nfs/dbraw/zinc/07/84/94/1087078494.db2.gz RZCLVDWDKYINML-UHFFFAOYSA-N 1 3 357.523 4.037 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cc3cnccc3o2)cc1 ZINC000657839681 1087263393 /nfs/dbraw/zinc/26/33/93/1087263393.db2.gz YRRGLILZYPGHLZ-KRWDZBQOSA-N 1 3 367.493 4.399 20 0 FIADHO COc1cc(C)c(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1OC ZINC000083453574 1087340126 /nfs/dbraw/zinc/34/01/26/1087340126.db2.gz AZBRHRWUBVUNDY-UHFFFAOYSA-N 1 3 356.510 4.142 20 0 FIADHO COc1cc(C)c(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000083453574 1087340129 /nfs/dbraw/zinc/34/01/29/1087340129.db2.gz AZBRHRWUBVUNDY-UHFFFAOYSA-N 1 3 356.510 4.142 20 0 FIADHO CN(Cc1cc(-c2ccccc2)cs1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457894 1087573272 /nfs/dbraw/zinc/57/32/72/1087573272.db2.gz RSHSOVGWNIQBJY-NRFANRHFSA-N 1 3 369.578 4.015 20 0 FIADHO CN(Cc1cc(-c2ccccc2)cs1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457894 1087573274 /nfs/dbraw/zinc/57/32/74/1087573274.db2.gz RSHSOVGWNIQBJY-NRFANRHFSA-N 1 3 369.578 4.015 20 0 FIADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2noc3ccccc32)CC1 ZINC000658065610 1087705634 /nfs/dbraw/zinc/70/56/34/1087705634.db2.gz RSWKYMQFHAUVBK-SFHVURJKSA-N 1 3 363.505 4.056 20 0 FIADHO CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137318 1087741202 /nfs/dbraw/zinc/74/12/02/1087741202.db2.gz GLFMTADMPPNYJJ-IAGOWNOFSA-N 1 3 364.942 4.209 20 0 FIADHO CC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658137318 1087741213 /nfs/dbraw/zinc/74/12/13/1087741213.db2.gz GLFMTADMPPNYJJ-IAGOWNOFSA-N 1 3 364.942 4.209 20 0 FIADHO CC(C)CC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658139241 1087744913 /nfs/dbraw/zinc/74/49/13/1087744913.db2.gz PMVQZBZRJBYDES-FCHUYYIVSA-N 1 3 356.510 4.113 20 0 FIADHO CC(C)CC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658139241 1087744919 /nfs/dbraw/zinc/74/49/19/1087744919.db2.gz PMVQZBZRJBYDES-FCHUYYIVSA-N 1 3 356.510 4.113 20 0 FIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)c(F)c1 ZINC000658166286 1087762545 /nfs/dbraw/zinc/76/25/45/1087762545.db2.gz NNSRPLMGCAKZNV-HNNXBMFYSA-N 1 3 361.892 4.437 20 0 FIADHO CSc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168882 1087765261 /nfs/dbraw/zinc/76/52/61/1087765261.db2.gz ZWFAEHZMUMCAGT-QGZVFWFLSA-N 1 3 355.551 4.366 20 0 FIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC000414819631 1088274818 /nfs/dbraw/zinc/27/48/18/1088274818.db2.gz ZDUAKJLAMLYRIS-NSHDSACASA-N 1 3 353.691 4.412 20 0 FIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659285867 1088416793 /nfs/dbraw/zinc/41/67/93/1088416793.db2.gz SMEXWIPTMJZDDG-JTSKRJEESA-N 1 3 363.505 4.234 20 0 FIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659285867 1088416801 /nfs/dbraw/zinc/41/68/01/1088416801.db2.gz SMEXWIPTMJZDDG-JTSKRJEESA-N 1 3 363.505 4.234 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@@H+]1C ZINC000311258312 1088479521 /nfs/dbraw/zinc/47/95/21/1088479521.db2.gz WNRHHHSZKZNDHZ-DKSSEZFCSA-N 1 3 359.514 4.093 20 0 FIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC[N@H+]1C ZINC000311258312 1088479534 /nfs/dbraw/zinc/47/95/34/1088479534.db2.gz WNRHHHSZKZNDHZ-DKSSEZFCSA-N 1 3 359.514 4.093 20 0 FIADHO COc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000514083023 1088722186 /nfs/dbraw/zinc/72/21/86/1088722186.db2.gz JGBRYRQPZJAQGD-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000514083023 1088722194 /nfs/dbraw/zinc/72/21/94/1088722194.db2.gz JGBRYRQPZJAQGD-UHFFFAOYSA-N 1 3 368.521 4.048 20 0 FIADHO COc1cccc(COc2cccc(Cl)c2CN[C@@H](C)CCC[NH3+])c1 ZINC000415015615 1089043113 /nfs/dbraw/zinc/04/31/13/1089043113.db2.gz AYNUOFLKBHJHSW-HNNXBMFYSA-N 1 3 362.901 4.145 20 0 FIADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414861220 1089167276 /nfs/dbraw/zinc/16/72/76/1089167276.db2.gz RNUDYNRLFAZWJN-OAHLLOKOSA-N 1 3 351.922 4.007 20 0 FIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125088 1089304981 /nfs/dbraw/zinc/30/49/81/1089304981.db2.gz UVPKUSSOUXDQHK-KRWDZBQOSA-N 1 3 356.514 4.146 20 0 FIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125088 1089304998 /nfs/dbraw/zinc/30/49/98/1089304998.db2.gz UVPKUSSOUXDQHK-KRWDZBQOSA-N 1 3 356.514 4.146 20 0 FIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425407814 1089918412 /nfs/dbraw/zinc/91/84/12/1089918412.db2.gz QLJUXPPGPGPJGY-UHFFFAOYSA-N 1 3 352.526 4.088 20 0 FIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425407814 1089918439 /nfs/dbraw/zinc/91/84/39/1089918439.db2.gz QLJUXPPGPGPJGY-UHFFFAOYSA-N 1 3 352.526 4.088 20 0 FIADHO C/C(=C\c1ccccc1C(F)(F)F)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000500416084 1091469917 /nfs/dbraw/zinc/46/99/17/1091469917.db2.gz MWFMNIRGWZBYHN-MAUBAPBLSA-N 1 3 370.459 4.199 20 0 FIADHO C/C(=C\c1ccccc1C(F)(F)F)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000500416084 1091469927 /nfs/dbraw/zinc/46/99/27/1091469927.db2.gz MWFMNIRGWZBYHN-MAUBAPBLSA-N 1 3 370.459 4.199 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(-n3ccnc3)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011986 1092313867 /nfs/dbraw/zinc/31/38/67/1092313867.db2.gz USULPXHOVNEIBZ-JHDGKUDLSA-N 1 3 374.532 4.404 20 0 FIADHO C[C@@H]1C[C@@H](NCc2ccc(-n3ccnc3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011986 1092313878 /nfs/dbraw/zinc/31/38/78/1092313878.db2.gz USULPXHOVNEIBZ-JHDGKUDLSA-N 1 3 374.532 4.404 20 0 FIADHO CN1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1(C)C ZINC000442872950 1092820167 /nfs/dbraw/zinc/82/01/67/1092820167.db2.gz OGQYYCMMMGIAPL-HXUWFJFHSA-N 1 3 357.542 4.136 20 0 FIADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCC3=Cc4ccccc4OC3)cc2)C1 ZINC000521815215 1092934163 /nfs/dbraw/zinc/93/41/63/1092934163.db2.gz RAOIPZOMWYVENH-LJQANCHMSA-N 1 3 362.517 4.484 20 0 FIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCC3=Cc4ccccc4OC3)cc2)C1 ZINC000521815215 1092934164 /nfs/dbraw/zinc/93/41/64/1092934164.db2.gz RAOIPZOMWYVENH-LJQANCHMSA-N 1 3 362.517 4.484 20 0 FIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2c(F)cccc2N2CCCC2)C1 ZINC000521818491 1092935932 /nfs/dbraw/zinc/93/59/32/1092935932.db2.gz UAYOJBDVMQYGBC-OALUTQOASA-N 1 3 361.549 4.274 20 0 FIADHO C[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000443218588 1092994099 /nfs/dbraw/zinc/99/40/99/1092994099.db2.gz FUEJLIUWRMUSMJ-ZACQAIPSSA-N 1 3 354.498 4.266 20 0 FIADHO C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000512634893 1093050991 /nfs/dbraw/zinc/05/09/91/1093050991.db2.gz FSQFWOPKHYGXKU-YPIGPJMWSA-N 1 3 370.581 4.066 20 0 FIADHO CCC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccsc1 ZINC000191211480 1093116128 /nfs/dbraw/zinc/11/61/28/1093116128.db2.gz YOLVRZIDISFKOM-OAQYLSRUSA-N 1 3 357.567 4.127 20 0 FIADHO C[C@H](CCN1CCC[C@]2(CCSC2)C1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161719 /nfs/dbraw/zinc/16/17/19/1093161719.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CCN1CCC[C@]2(CCSC2)C1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161722 /nfs/dbraw/zinc/16/17/22/1093161722.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@@H+]1CCC[C@]2(CCSC2)C1)N1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161726 /nfs/dbraw/zinc/16/17/26/1093161726.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H](CC[N@H+]1CCC[C@]2(CCSC2)C1)N1CCC[C@@]2(CCSC2)C1 ZINC000451963983 1093161728 /nfs/dbraw/zinc/16/17/28/1093161728.db2.gz IJUJKIBKINCSLS-HSALFYBXSA-N 1 3 368.656 4.203 20 0 FIADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411438448 1093308865 /nfs/dbraw/zinc/30/88/65/1093308865.db2.gz KINXOBJCCXXAJQ-FQEVSTJZSA-N 1 3 371.569 4.057 20 0 FIADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411438448 1093308872 /nfs/dbraw/zinc/30/88/72/1093308872.db2.gz KINXOBJCCXXAJQ-FQEVSTJZSA-N 1 3 371.569 4.057 20 0 FIADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000389141373 1093454526 /nfs/dbraw/zinc/45/45/26/1093454526.db2.gz VHIMAEBOXPJVON-SQGPQFPESA-N 1 3 356.485 4.396 20 0 FIADHO C[C@H](COc1ccccc1)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168026948 1093507119 /nfs/dbraw/zinc/50/71/19/1093507119.db2.gz MMIFLQIAURYSOH-VAMGGRTRSA-N 1 3 352.522 4.485 20 0 FIADHO CC(C)C[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000474280320 1093649984 /nfs/dbraw/zinc/64/99/84/1093649984.db2.gz VJLXOIPTMORFNO-HSZRJFAPSA-N 1 3 371.613 4.307 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC000513078920 1093780827 /nfs/dbraw/zinc/78/08/27/1093780827.db2.gz XNNNSPANOYARGD-KSEOMHKRSA-N 1 3 369.553 4.305 20 0 FIADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000509928036 1094190172 /nfs/dbraw/zinc/19/01/72/1094190172.db2.gz QGFCJRGFOKBPFB-QGZVFWFLSA-N 1 3 359.539 4.428 20 0 FIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000509928036 1094190173 /nfs/dbraw/zinc/19/01/73/1094190173.db2.gz QGFCJRGFOKBPFB-QGZVFWFLSA-N 1 3 359.539 4.428 20 0 FIADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1 ZINC000513605215 1094234174 /nfs/dbraw/zinc/23/41/74/1094234174.db2.gz OVWUWDHLAJQJSV-UHFFFAOYSA-N 1 3 353.510 4.151 20 0 FIADHO CC(C)N1CCN(CCC[NH2+][C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000500989285 1094405522 /nfs/dbraw/zinc/40/55/22/1094405522.db2.gz GAFYBEQELXMISF-QFIPXVFZSA-N 1 3 361.549 4.063 20 0 FIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1OC ZINC000474607382 1094410767 /nfs/dbraw/zinc/41/07/67/1094410767.db2.gz YDZGHTWFPBOVDX-MSOLQXFVSA-N 1 3 374.569 4.440 20 0 FIADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000513708381 1094536649 /nfs/dbraw/zinc/53/66/49/1094536649.db2.gz RGNLMNIMCAEINT-HSZRJFAPSA-N 1 3 367.537 4.084 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@H](F)C(F)(F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041853 1094635150 /nfs/dbraw/zinc/63/51/50/1094635150.db2.gz WMYXXUDTHZCIJV-NBMJBFSESA-N 1 3 354.460 4.497 20 0 FIADHO C[C@@H]1C[C@@H](N2CC[C@H](F)C(F)(F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041853 1094635158 /nfs/dbraw/zinc/63/51/58/1094635158.db2.gz WMYXXUDTHZCIJV-NBMJBFSESA-N 1 3 354.460 4.497 20 0 FIADHO Fc1ccc(C(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404009 1094697201 /nfs/dbraw/zinc/69/72/01/1094697201.db2.gz FDRAPBHRRPYMRL-SFTDATJTSA-N 1 3 356.460 4.313 20 0 FIADHO Fc1ccc(C(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000501404009 1094697209 /nfs/dbraw/zinc/69/72/09/1094697209.db2.gz FDRAPBHRRPYMRL-SFTDATJTSA-N 1 3 356.460 4.313 20 0 FIADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000420382945 1094907018 /nfs/dbraw/zinc/90/70/18/1094907018.db2.gz PZSGATSBQDECBN-HNAYVOBHSA-N 1 3 364.942 4.273 20 0 FIADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000420398942 1094913224 /nfs/dbraw/zinc/91/32/24/1094913224.db2.gz ZMAFOMFOVCKPLC-ZBFHGGJFSA-N 1 3 364.942 4.273 20 0 FIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cnn(C2CCCC2)c1 ZINC000502458548 1095487685 /nfs/dbraw/zinc/48/76/85/1095487685.db2.gz CXQQBSQIXWNWTF-ICSRJNTNSA-N 1 3 352.526 4.171 20 0 FIADHO Cn1cc(-c2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)s2)cn1 ZINC000509540456 1095597232 /nfs/dbraw/zinc/59/72/32/1095597232.db2.gz MZZYJQJNKFXREU-UHFFFAOYSA-N 1 3 366.534 4.034 20 0 FIADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000444166189 1095794182 /nfs/dbraw/zinc/79/41/82/1095794182.db2.gz ISZRUJCOCPXNRI-HNNXBMFYSA-N 1 3 372.340 4.128 20 0 FIADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000444166189 1095794192 /nfs/dbraw/zinc/79/41/92/1095794192.db2.gz ISZRUJCOCPXNRI-HNNXBMFYSA-N 1 3 372.340 4.128 20 0 FIADHO OC1CC[NH+](Cc2ccccc2CN[C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271751032 1096123894 /nfs/dbraw/zinc/12/38/94/1096123894.db2.gz RNFDPQIXRCJRIB-QHCPKHFHSA-N 1 3 368.496 4.023 20 0 FIADHO OC1CCN(Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271751032 1096123900 /nfs/dbraw/zinc/12/39/00/1096123900.db2.gz RNFDPQIXRCJRIB-QHCPKHFHSA-N 1 3 368.496 4.023 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccsc2S1 ZINC000272774858 1096211251 /nfs/dbraw/zinc/21/12/51/1096211251.db2.gz UETWOXFXJOGREN-POZUXBRTSA-N 1 3 374.575 4.030 20 0 FIADHO C[C@H]1C[C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccsc2S1 ZINC000272774858 1096211266 /nfs/dbraw/zinc/21/12/66/1096211266.db2.gz UETWOXFXJOGREN-POZUXBRTSA-N 1 3 374.575 4.030 20 0 FIADHO [NH3+]CCCOC1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000414667771 1096393121 /nfs/dbraw/zinc/39/31/21/1096393121.db2.gz YRZNUAULJWSWHV-UHFFFAOYSA-N 1 3 356.535 4.168 20 0 FIADHO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1Cl ZINC000422742653 1096478032 /nfs/dbraw/zinc/47/80/32/1096478032.db2.gz GSFIVHSZTLUIOF-QVKFZJNVSA-N 1 3 374.960 4.236 20 0 FIADHO c1sc2ccccc2c1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422751882 1096483105 /nfs/dbraw/zinc/48/31/05/1096483105.db2.gz DDNCJEOPQLJYFI-WIYYLYMNSA-N 1 3 350.487 4.247 20 0 FIADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422781369 1096489953 /nfs/dbraw/zinc/48/99/53/1096489953.db2.gz IQTQXJMKTIUZNT-SLFFLAALSA-N 1 3 355.551 4.253 20 0 FIADHO CCCOc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422785833 1096490166 /nfs/dbraw/zinc/49/01/66/1096490166.db2.gz RUWHERPACBBDEO-AMHTUMDSSA-N 1 3 366.505 4.382 20 0 FIADHO Cc1nc(-c2ccc(CCN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])s2)cs1 ZINC000422796992 1096493752 /nfs/dbraw/zinc/49/37/52/1096493752.db2.gz KUQUIIJKMMNFRF-KSSFIOAISA-N 1 3 371.575 4.271 20 0 FIADHO FC(F)Oc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422832370 1096501972 /nfs/dbraw/zinc/50/19/72/1096501972.db2.gz UTWMUJIRBQSDGN-YDZRNGNQSA-N 1 3 350.453 4.176 20 0 FIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000422862515 1096507170 /nfs/dbraw/zinc/50/71/70/1096507170.db2.gz PXDSEGPLFJWIJF-NWDGAFQWSA-N 1 3 352.309 4.437 20 0 FIADHO Cc1sc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)nc1-c1ccccc1 ZINC000422924709 1096525633 /nfs/dbraw/zinc/52/56/33/1096525633.db2.gz BAIPCIPUKVKYFT-AWEZNQCLSA-N 1 3 366.534 4.174 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(COc2ccccc2)cc1 ZINC000422943728 1096525729 /nfs/dbraw/zinc/52/57/29/1096525729.db2.gz REULARUWSPUZBL-KRWDZBQOSA-N 1 3 361.489 4.279 20 0 FIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(COc2ccccc2)cc1 ZINC000422943729 1096526885 /nfs/dbraw/zinc/52/68/85/1096526885.db2.gz REULARUWSPUZBL-QGZVFWFLSA-N 1 3 361.489 4.279 20 0 FIADHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000422930943 1096528225 /nfs/dbraw/zinc/52/82/25/1096528225.db2.gz AEVYNPUCWOKBJL-SCLBCKFNSA-N 1 3 365.290 4.395 20 0 FIADHO c1ccc2c(c1)cccc2OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422933986 1096529676 /nfs/dbraw/zinc/52/96/76/1096529676.db2.gz BWKKJCWPGBZTIE-QPPBQGQZSA-N 1 3 374.484 4.064 20 0 FIADHO Clc1cccc2c1CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422943032 1096531498 /nfs/dbraw/zinc/53/14/98/1096531498.db2.gz XOAWDASOTQOTHD-QKNQBKEWSA-N 1 3 354.881 4.173 20 0 FIADHO Clc1cccc2c1CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422943034 1096531916 /nfs/dbraw/zinc/53/19/16/1096531916.db2.gz XOAWDASOTQOTHD-ZVDOUQERSA-N 1 3 354.881 4.173 20 0 FIADHO COc1cc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OCC(C)C ZINC000422944531 1096535963 /nfs/dbraw/zinc/53/59/63/1096535963.db2.gz SHEJUIZVAYDVHR-CVEARBPZSA-N 1 3 371.525 4.304 20 0 FIADHO c1ccc(-c2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)nc1 ZINC000422993806 1096542266 /nfs/dbraw/zinc/54/22/66/1096542266.db2.gz GHQICHTXIPEQNP-ISKFKSNPSA-N 1 3 371.484 4.094 20 0 FIADHO Clc1ccc([C@@H]2OCC[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000423020006 1096552085 /nfs/dbraw/zinc/55/20/85/1096552085.db2.gz YFSTUJDAIZHCMN-MHTWAQMVSA-N 1 3 356.897 4.253 20 0 FIADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423037182 1096556408 /nfs/dbraw/zinc/55/64/08/1096556408.db2.gz VQAQDCQFIBICNQ-LUVWLHFXSA-N 1 3 355.929 4.108 20 0 FIADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)c2ccccc21 ZINC000423067613 1096563126 /nfs/dbraw/zinc/56/31/26/1096563126.db2.gz ZZLQIFPGBPQJBM-MORSLUCNSA-N 1 3 361.411 4.019 20 0 FIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc(-c2cccnc2)c1 ZINC000423052646 1096565417 /nfs/dbraw/zinc/56/54/17/1096565417.db2.gz RAQXKMJRFXFQRT-UPVQGACJSA-N 1 3 371.484 4.094 20 0 FIADHO Fc1ccc2c(c1)[C@@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423089874 1096571151 /nfs/dbraw/zinc/57/11/51/1096571151.db2.gz WETDCLKTZGYCIL-ONTIZHBOSA-N 1 3 352.453 4.049 20 0 FIADHO C[C@@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)c2cccc(Br)c21 ZINC000423180988 1096606739 /nfs/dbraw/zinc/60/67/39/1096606739.db2.gz BRKDLALWTPEHOZ-KDOFPFPSSA-N 1 3 374.326 4.162 20 0 FIADHO COc1ccccc1[C@H](NCCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423190852 1096612378 /nfs/dbraw/zinc/61/23/78/1096612378.db2.gz RSYRZFNJPMPYAD-JOCHJYFZSA-N 1 3 353.510 4.091 20 0 FIADHO CC1(CN[C@H](c2ccco2)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000423315789 1096641330 /nfs/dbraw/zinc/64/13/30/1096641330.db2.gz AJTDFYGAAJZRLS-KRWDZBQOSA-N 1 3 363.299 4.111 20 0 FIADHO Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423300349 1096645536 /nfs/dbraw/zinc/64/55/36/1096645536.db2.gz RJARRCIXGBXMJK-QWRGUYRKSA-N 1 3 368.344 4.126 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)sc1Br ZINC000423401213 1096660985 /nfs/dbraw/zinc/66/09/85/1096660985.db2.gz VWUYGPSNLPTDJB-LLVKDONJSA-N 1 3 351.313 4.273 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CCN[C@@H](C)C2)nc1 ZINC000423390039 1096663413 /nfs/dbraw/zinc/66/34/13/1096663413.db2.gz VOVXMVFZKGMVGQ-SSKFGXFMSA-N 1 3 371.956 4.181 20 0 FIADHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)N[C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000423390039 1096663418 /nfs/dbraw/zinc/66/34/18/1096663418.db2.gz VOVXMVFZKGMVGQ-SSKFGXFMSA-N 1 3 371.956 4.181 20 0 FIADHO [NH3+][C@@H]1CCC[C@H](CN[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000423475048 1096695375 /nfs/dbraw/zinc/69/53/75/1096695375.db2.gz PSCKDMLQYJBKRQ-XCRHUMRWSA-N 1 3 363.299 4.239 20 0 FIADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H]2CCCNc3ccccc32)cc1 ZINC000423472983 1096695474 /nfs/dbraw/zinc/69/54/74/1096695474.db2.gz NNVUHAGFKBBUPS-LZNRXBQRSA-N 1 3 353.485 4.055 20 0 FIADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000423473021 1096695489 /nfs/dbraw/zinc/69/54/89/1096695489.db2.gz NNVUHAGFKBBUPS-ZWCUEREDSA-N 1 3 353.485 4.055 20 0 FIADHO Cc1c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000423503579 1096700950 /nfs/dbraw/zinc/70/09/50/1096700950.db2.gz MWEAJRYMNDAWLE-AOMKIAJQSA-N 1 3 366.484 4.451 20 0 FIADHO COc1cccc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2Cl)c1 ZINC000423542235 1096717390 /nfs/dbraw/zinc/71/73/90/1096717390.db2.gz MEUXNVLJQQEPPS-FOUBCARRSA-N 1 3 370.924 4.416 20 0 FIADHO C[N@@H+]1CCC[C@H](CNCc2c[nH]nc2-c2ccsc2)[C@H]1c1cccs1 ZINC000436236207 1098859457 /nfs/dbraw/zinc/85/94/57/1098859457.db2.gz DSVLYZMKTLAZRX-KUHUBIRLSA-N 1 3 372.563 4.372 20 0 FIADHO C[N@H+]1CCC[C@H](CNCc2c[nH]nc2-c2ccsc2)[C@H]1c1cccs1 ZINC000436236207 1098859459 /nfs/dbraw/zinc/85/94/59/1098859459.db2.gz DSVLYZMKTLAZRX-KUHUBIRLSA-N 1 3 372.563 4.372 20 0 FIADHO C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000436403975 1098992792 /nfs/dbraw/zinc/99/27/92/1098992792.db2.gz AUWJAMPAECOLIU-FUHWJXTLSA-N 1 3 351.469 4.307 20 0 FIADHO CCCC[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000533715068 1099359614 /nfs/dbraw/zinc/35/96/14/1099359614.db2.gz XMLNRGKVASTMBF-QGZVFWFLSA-N 1 3 359.341 4.271 20 0 FIADHO Cc1ccsc1CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506009502 1099757714 /nfs/dbraw/zinc/75/77/14/1099757714.db2.gz KBTPPSSSUMQUAQ-UHFFFAOYSA-N 1 3 357.567 4.219 20 0 FIADHO COc1ccc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC000162499851 1099810772 /nfs/dbraw/zinc/81/07/72/1099810772.db2.gz VPMBJVOFKIEXDM-HNNXBMFYSA-N 1 3 362.901 4.140 20 0 FIADHO CSc1ccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000162502276 1099813617 /nfs/dbraw/zinc/81/36/17/1099813617.db2.gz MKROSKKKBHKNMR-OAHLLOKOSA-N 1 3 362.514 4.339 20 0 FIADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162545468 1099835461 /nfs/dbraw/zinc/83/54/61/1099835461.db2.gz CWJTUVUFILGNTG-OAHLLOKOSA-N 1 3 361.555 4.366 20 0 FIADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000162545634 1099837023 /nfs/dbraw/zinc/83/70/23/1099837023.db2.gz CWJTUVUFILGNTG-HNNXBMFYSA-N 1 3 361.555 4.366 20 0 FIADHO C[C@@H]1C[C@@H]1c1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000536665609 1100138777 /nfs/dbraw/zinc/13/87/77/1100138777.db2.gz UBTGQVCAOVYEQB-GCJKJVERSA-N 1 3 373.585 4.031 20 0 FIADHO Clc1ccc2c(c1Cl)OC[C@@H]2NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459431635 1100168139 /nfs/dbraw/zinc/16/81/39/1100168139.db2.gz SBBDRDYZZLIHJM-INIZCTEOSA-N 1 3 364.276 4.081 20 0 FIADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@H]1Sc1ccccc1 ZINC000459437968 1100192266 /nfs/dbraw/zinc/19/22/66/1100192266.db2.gz ZTYHTPVGJWIEHD-CWJKEVGVSA-N 1 3 362.583 4.035 20 0 FIADHO [NH3+]C1CCC(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000437791625 1100200249 /nfs/dbraw/zinc/20/02/49/1100200249.db2.gz GBJMUHNOVUXVNS-UHFFFAOYSA-N 1 3 355.429 4.188 20 0 FIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000536705906 1100212923 /nfs/dbraw/zinc/21/29/23/1100212923.db2.gz QIGPVYVRIJERGP-LJQANCHMSA-N 1 3 367.537 4.078 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641991 1100263940 /nfs/dbraw/zinc/26/39/40/1100263940.db2.gz DQRXOHMWIOJNEL-KPDCDPCYSA-N 1 3 350.506 4.325 20 0 FIADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000379641991 1100263945 /nfs/dbraw/zinc/26/39/45/1100263945.db2.gz DQRXOHMWIOJNEL-KPDCDPCYSA-N 1 3 350.506 4.325 20 0 FIADHO Clc1cccc([C@H](Cc2cccnc2)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000425929492 1100291849 /nfs/dbraw/zinc/29/18/49/1100291849.db2.gz MIDIHIMVEJJXTH-QFIPXVFZSA-N 1 3 369.940 4.483 20 0 FIADHO Clc1cccc([C@H](Cc2cccnc2)[NH2+]CCCN2CCCCC2)c1 ZINC000425928066 1100297183 /nfs/dbraw/zinc/29/71/83/1100297183.db2.gz XHEPOESUNXCKRO-NRFANRHFSA-N 1 3 357.929 4.484 20 0 FIADHO CC(C)(C)C1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000459583168 1100308861 /nfs/dbraw/zinc/30/88/61/1100308861.db2.gz FMZAEYSWYMYXRU-ATKRNPRHSA-N 1 3 370.581 4.330 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000536847752 1100358998 /nfs/dbraw/zinc/35/89/98/1100358998.db2.gz WSZGXAUKEDUZDY-AUSIDOKSSA-N 1 3 374.532 4.181 20 0 FIADHO Cc1ccn(-c2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000536847752 1100359009 /nfs/dbraw/zinc/35/90/09/1100359009.db2.gz WSZGXAUKEDUZDY-AUSIDOKSSA-N 1 3 374.532 4.181 20 0 FIADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536856342 1100371186 /nfs/dbraw/zinc/37/11/86/1100371186.db2.gz FBMUOYAUHUYHBN-YESZJQIVSA-N 1 3 372.475 4.115 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc(Cl)cc(Cl)c1 ZINC000536855177 1100371433 /nfs/dbraw/zinc/37/14/33/1100371433.db2.gz ZMQGPBWLBNFYJO-FASAQXTFSA-N 1 3 371.352 4.412 20 0 FIADHO CC[NH+]1CCC(N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426285910 1101182045 /nfs/dbraw/zinc/18/20/45/1101182045.db2.gz DMMVXMOXMLBLCB-QGZVFWFLSA-N 1 3 351.332 4.146 20 0 FIADHO C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000426355034 1101351156 /nfs/dbraw/zinc/35/11/56/1101351156.db2.gz XKWGKCOEHUQONI-YZIUBNRHSA-N 1 3 370.562 4.251 20 0 FIADHO C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1OCCc2sccc21 ZINC000426355034 1101351172 /nfs/dbraw/zinc/35/11/72/1101351172.db2.gz XKWGKCOEHUQONI-YZIUBNRHSA-N 1 3 370.562 4.251 20 0 FIADHO [NH3+][C@@H]1CCC[C@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000414999513 1101483231 /nfs/dbraw/zinc/48/32/31/1101483231.db2.gz JEIVHIOUXMTUSS-SWLSCSKDSA-N 1 3 369.456 4.436 20 0 FIADHO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537190012 1101541478 /nfs/dbraw/zinc/54/14/78/1101541478.db2.gz OBZABMVZXSLYRQ-UZKOGDIHSA-N 1 3 372.553 4.015 20 0 FIADHO FC(F)(F)Oc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167967081 1102272201 /nfs/dbraw/zinc/27/22/01/1102272201.db2.gz AUTOZJPGAASXTD-AYHJJNSGSA-N 1 3 368.443 4.123 20 0 FIADHO FC(F)(F)Oc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167967081 1102272212 /nfs/dbraw/zinc/27/22/12/1102272212.db2.gz AUTOZJPGAASXTD-AYHJJNSGSA-N 1 3 368.443 4.123 20 0 FIADHO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120964258 1102290674 /nfs/dbraw/zinc/29/06/74/1102290674.db2.gz IHJQBJZROUVSGQ-ZDUSSCGKSA-N 1 3 350.865 4.400 20 0 FIADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000040622760 1102343412 /nfs/dbraw/zinc/34/34/12/1102343412.db2.gz MCSMFMHUERKZJO-NXVRBGIVSA-N 1 3 351.332 4.015 20 0 FIADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000040622734 1102344839 /nfs/dbraw/zinc/34/48/39/1102344839.db2.gz HJIKOJYBOLZTOF-MXWWQKGMSA-N 1 3 351.332 4.015 20 0 FIADHO c1ccc(CO[C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167969032 1102352545 /nfs/dbraw/zinc/35/25/45/1102352545.db2.gz YQTVVCLCTIGCLT-HVXWDBPDSA-N 1 3 354.538 4.119 20 0 FIADHO c1ccc(CO[C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167969032 1102352549 /nfs/dbraw/zinc/35/25/49/1102352549.db2.gz YQTVVCLCTIGCLT-HVXWDBPDSA-N 1 3 354.538 4.119 20 0 FIADHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000506850023 1102594171 /nfs/dbraw/zinc/59/41/71/1102594171.db2.gz DUJWCUWVDNOEQH-UHFFFAOYSA-N 1 3 374.960 4.294 20 0 FIADHO COc1ccc2[nH]cc(C3=CC[N@H+](CC[C@@H]4CCCCN4C)CC3)c2c1 ZINC000532654947 1102734039 /nfs/dbraw/zinc/73/40/39/1102734039.db2.gz IAECPFHLXJLRRX-SFHVURJKSA-N 1 3 353.510 4.140 20 0 FIADHO COc1ccc2[nH]cc(C3=CC[N@@H+](CC[C@@H]4CCCCN4C)CC3)c2c1 ZINC000532654947 1102734052 /nfs/dbraw/zinc/73/40/52/1102734052.db2.gz IAECPFHLXJLRRX-SFHVURJKSA-N 1 3 353.510 4.140 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007035 1102759424 /nfs/dbraw/zinc/75/94/24/1102759424.db2.gz CJCMUSGMYRALRJ-FCHUYYIVSA-N 1 3 365.521 4.350 20 0 FIADHO CCCC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007035 1102759433 /nfs/dbraw/zinc/75/94/33/1102759433.db2.gz CJCMUSGMYRALRJ-FCHUYYIVSA-N 1 3 365.521 4.350 20 0 FIADHO Brc1sccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981727 1102771959 /nfs/dbraw/zinc/77/19/59/1102771959.db2.gz GXSXNCVSGNGNHC-MQVJKMGUSA-N 1 3 369.372 4.048 20 0 FIADHO Brc1sccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981727 1102771975 /nfs/dbraw/zinc/77/19/75/1102771975.db2.gz GXSXNCVSGNGNHC-MQVJKMGUSA-N 1 3 369.372 4.048 20 0 FIADHO Cc1ccccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550262493 1102883345 /nfs/dbraw/zinc/88/33/45/1102883345.db2.gz IKFLOBIRMOFCSG-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550262493 1102883354 /nfs/dbraw/zinc/88/33/54/1102883354.db2.gz IKFLOBIRMOFCSG-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550262493 1102883362 /nfs/dbraw/zinc/88/33/62/1102883362.db2.gz IKFLOBIRMOFCSG-HSZRJFAPSA-N 1 3 364.533 4.013 20 0 FIADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000550263041 1102884025 /nfs/dbraw/zinc/88/40/25/1102884025.db2.gz TXJDBJUKPQNNND-CEMLEFRQSA-N 1 3 356.554 4.084 20 0 FIADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459362763 1102919254 /nfs/dbraw/zinc/91/92/54/1102919254.db2.gz HALFGYSBILHQOJ-NJDAHSKKSA-N 1 3 362.583 4.035 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000536626286 1102933505 /nfs/dbraw/zinc/93/35/05/1102933505.db2.gz WUPLGZZKPAXHPY-KHYOSLBOSA-N 1 3 356.913 4.267 20 0 FIADHO Clc1ccc2sc(CNC3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000459379822 1103034553 /nfs/dbraw/zinc/03/45/53/1103034553.db2.gz AASAJVNVQGHISY-UHFFFAOYSA-N 1 3 358.898 4.103 20 0 FIADHO [NH3+]CCC[C@H](NCc1cnn(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000666976003 1103044078 /nfs/dbraw/zinc/04/40/78/1103044078.db2.gz SWRSOQAMNHDWIK-NRFANRHFSA-N 1 3 368.912 4.155 20 0 FIADHO CC(C)[NH+]1CCC(N(C)CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000507360885 1103337538 /nfs/dbraw/zinc/33/75/38/1103337538.db2.gz POXUAXBOXUCBCM-UHFFFAOYSA-N 1 3 358.448 4.279 20 0 FIADHO COC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000519789935 1103854810 /nfs/dbraw/zinc/85/48/10/1103854810.db2.gz IDSRTACGPAATKR-RXVVDRJESA-N 1 3 358.913 4.139 20 0 FIADHO CC(C)CSCCC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538307294 1104104410 /nfs/dbraw/zinc/10/44/10/1104104410.db2.gz MCLLVVBREGDSGB-IBGZPJMESA-N 1 3 362.583 4.344 20 0 FIADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000520343991 1104284760 /nfs/dbraw/zinc/28/47/60/1104284760.db2.gz SRLYFAANSNFWQJ-FPOVZHCZSA-N 1 3 358.570 4.330 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441419129 1104400416 /nfs/dbraw/zinc/40/04/16/1104400416.db2.gz JJURSYUUAFFQPX-KNQAVFIVSA-N 1 3 350.506 4.167 20 0 FIADHO c1ccc2c(c1)cccc2OCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441419129 1104400423 /nfs/dbraw/zinc/40/04/23/1104400423.db2.gz JJURSYUUAFFQPX-KNQAVFIVSA-N 1 3 350.506 4.167 20 0 FIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)C1 ZINC000537963316 1104448601 /nfs/dbraw/zinc/44/86/01/1104448601.db2.gz HTBSKINLGKUBDO-HOJAQTOUSA-N 1 3 366.615 4.064 20 0 FIADHO c1ccc2c(c1)nc([C@H]1CCCCN1)n2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994456 1104491618 /nfs/dbraw/zinc/49/16/18/1104491618.db2.gz FJJOYKQJEPNNNC-KXZRCVDZSA-N 1 3 364.537 4.429 20 0 FIADHO c1ccc2c(c1)nc([C@H]1CCCCN1)n2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994456 1104491621 /nfs/dbraw/zinc/49/16/21/1104491621.db2.gz FJJOYKQJEPNNNC-KXZRCVDZSA-N 1 3 364.537 4.429 20 0 FIADHO c1ccc(COC2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995366 1104498700 /nfs/dbraw/zinc/49/87/00/1104498700.db2.gz COPWLAKOVGDWHN-CBQGHPETSA-N 1 3 354.538 4.073 20 0 FIADHO c1ccc(COC2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995366 1104498704 /nfs/dbraw/zinc/49/87/04/1104498704.db2.gz COPWLAKOVGDWHN-CBQGHPETSA-N 1 3 354.538 4.073 20 0 FIADHO C[C@H]1CN(CCCC[NH2+]Cc2c(Cl)oc3ccccc32)C[C@H](C)O1 ZINC000536413736 1104916184 /nfs/dbraw/zinc/91/61/84/1104916184.db2.gz DJXIPGRQWQXMMC-GJZGRUSLSA-N 1 3 350.890 4.065 20 0 FIADHO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000152415565 1105105029 /nfs/dbraw/zinc/10/50/29/1105105029.db2.gz UUNSJICMJIERPT-MLGOLLRUSA-N 1 3 355.309 4.281 20 0 FIADHO FC1(F)CC(CN2CCCC3(CCC[N@H+](CC4CC(F)(F)C4)C3)C2)C1 ZINC000451046721 1106907502 /nfs/dbraw/zinc/90/75/02/1106907502.db2.gz QEDKXSXVSMSWFT-UHFFFAOYSA-N 1 3 362.455 4.255 20 0 FIADHO FC1(F)CC(CN2CCCC3(CCC[N@@H+](CC4CC(F)(F)C4)C3)C2)C1 ZINC000451046721 1106907504 /nfs/dbraw/zinc/90/75/04/1106907504.db2.gz QEDKXSXVSMSWFT-UHFFFAOYSA-N 1 3 362.455 4.255 20 0 FIADHO CC(C)Cc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530210044 1106913615 /nfs/dbraw/zinc/91/36/15/1106913615.db2.gz KSNFGINOIGCUNC-GGAORHGYSA-N 1 3 350.506 4.231 20 0 FIADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000475507513 1107582012 /nfs/dbraw/zinc/58/20/12/1107582012.db2.gz FXBLGKXGZFPYPH-JOCHJYFZSA-N 1 3 367.512 4.135 20 0 FIADHO COc1ccc(C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692702 1108096554 /nfs/dbraw/zinc/09/65/54/1108096554.db2.gz VUNSVBBOLJTPGQ-WGGBDISSSA-N 1 3 368.521 4.060 20 0 FIADHO COc1ccc(C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000531692702 1108096569 /nfs/dbraw/zinc/09/65/69/1108096569.db2.gz VUNSVBBOLJTPGQ-WGGBDISSSA-N 1 3 368.521 4.060 20 0 FIADHO c1cc2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]4CCC[C@@H]43)nc2[nH]1 ZINC000453263047 1108336265 /nfs/dbraw/zinc/33/62/65/1108336265.db2.gz YLYABPCJJUQXOI-FSSWDIPSSA-N 1 3 360.505 4.096 20 0 FIADHO Cc1cc(Br)c(CNCc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000453587890 1108645915 /nfs/dbraw/zinc/64/59/15/1108645915.db2.gz LMJIBMWATBLGDT-UHFFFAOYSA-N 1 3 371.319 4.310 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225246 1108723139 /nfs/dbraw/zinc/72/31/39/1108723139.db2.gz FNIJCKKMCYYFQK-MJGOQNOKSA-N 1 3 356.485 4.397 20 0 FIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000532225246 1108723143 /nfs/dbraw/zinc/72/31/43/1108723143.db2.gz FNIJCKKMCYYFQK-MJGOQNOKSA-N 1 3 356.485 4.397 20 0 FIADHO CCCN1CCC([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000448099868 1109724238 /nfs/dbraw/zinc/72/42/38/1109724238.db2.gz VWJDMAJNZJCUDP-UHFFFAOYSA-N 1 3 362.521 4.308 20 0 FIADHO CCCN1CCC([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000448099868 1109724242 /nfs/dbraw/zinc/72/42/42/1109724242.db2.gz VWJDMAJNZJCUDP-UHFFFAOYSA-N 1 3 362.521 4.308 20 0 FIADHO Cc1nn(C)c(C)c1C[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449170214 1109987873 /nfs/dbraw/zinc/98/78/73/1109987873.db2.gz FQSZCXMAIKTIPZ-INIZCTEOSA-N 1 3 362.606 4.237 20 0 FIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCOCC2CCOCC2)CC1 ZINC000449162829 1109989990 /nfs/dbraw/zinc/98/99/90/1109989990.db2.gz KEFTYBMHCJZLJX-UHFFFAOYSA-N 1 3 368.606 4.089 20 0 FIADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCC1 ZINC000449342832 1110035023 /nfs/dbraw/zinc/03/50/23/1110035023.db2.gz FPURWCPKRWRPQF-VXKWHMMOSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000449478406 1110085099 /nfs/dbraw/zinc/08/50/99/1110085099.db2.gz KCKOWOICXAGURL-MLCQCVOFSA-N 1 3 368.565 4.226 20 0 FIADHO CC(=O)c1cccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000450657164 1110325725 /nfs/dbraw/zinc/32/57/25/1110325725.db2.gz YOFSAHYSYUYDAA-UHFFFAOYSA-N 1 3 351.494 4.023 20 0 FIADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(Cl)s1 ZINC000538723969 1111274801 /nfs/dbraw/zinc/27/48/01/1111274801.db2.gz JMRKPMFCNAPIAR-UHFFFAOYSA-N 1 3 370.006 4.030 20 0 FIADHO COc1ccc(-c2csc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)c2)cc1 ZINC000552047583 1111556930 /nfs/dbraw/zinc/55/69/30/1111556930.db2.gz RFENYWWNEVJWJT-NJYVYQBISA-N 1 3 356.535 4.386 20 0 FIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCC5)C4)[C@H]3C2)cc1 ZINC000552062593 1111562975 /nfs/dbraw/zinc/56/29/75/1111562975.db2.gz AGTKBNUBJBPMJL-MLCQCVOFSA-N 1 3 368.565 4.369 20 0 FIADHO FC(F)(F)Oc1cccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000552224317 1111624320 /nfs/dbraw/zinc/62/43/20/1111624320.db2.gz SPQWFENRFPKGPB-UGSOOPFHSA-N 1 3 354.416 4.110 20 0 FIADHO FC(F)(F)Oc1cccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000552224317 1111624324 /nfs/dbraw/zinc/62/43/24/1111624324.db2.gz SPQWFENRFPKGPB-UGSOOPFHSA-N 1 3 354.416 4.110 20 0 FIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1N(C)C ZINC000479463554 1112033341 /nfs/dbraw/zinc/03/33/41/1112033341.db2.gz IPRVUYDLNSKAJR-IEBWSBKVSA-N 1 3 355.501 4.064 20 0 FIADHO OC1CC[NH+](Cc2ccccc2CN[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479526661 1112052969 /nfs/dbraw/zinc/05/29/69/1112052969.db2.gz JYIVSAQYOGPONY-QFIPXVFZSA-N 1 3 370.924 4.074 20 0 FIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479551982 1112068401 /nfs/dbraw/zinc/06/84/01/1112068401.db2.gz ARZQDXWJLMHJHT-OAQYLSRUSA-N 1 3 358.913 4.448 20 0 FIADHO OC1CC[NH+](Cc2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2)CC1 ZINC000479581803 1112079530 /nfs/dbraw/zinc/07/95/30/1112079530.db2.gz VAWJTWJMZLDLPU-JOCHJYFZSA-N 1 3 370.924 4.074 20 0 FIADHO C[C@@H]([NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480162461 1112309133 /nfs/dbraw/zinc/30/91/33/1112309133.db2.gz BRJDGEWZYXAQGN-IXDOHACOSA-N 1 3 373.928 4.195 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000480630548 1112510480 /nfs/dbraw/zinc/51/04/80/1112510480.db2.gz JZGFTFADSQPVNL-CVEARBPZSA-N 1 3 352.494 4.006 20 0 FIADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000480630548 1112510487 /nfs/dbraw/zinc/51/04/87/1112510487.db2.gz JZGFTFADSQPVNL-CVEARBPZSA-N 1 3 352.494 4.006 20 0 FIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000480727966 1112573146 /nfs/dbraw/zinc/57/31/46/1112573146.db2.gz KRGGOCKJZXIALT-GOSISDBHSA-N 1 3 368.521 4.288 20 0 FIADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000481313114 1112896415 /nfs/dbraw/zinc/89/64/15/1112896415.db2.gz JDLCVSDMDGHJDH-DENIHFKCSA-N 1 3 374.569 4.235 20 0 FIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)CCCO2 ZINC000481343371 1112907255 /nfs/dbraw/zinc/90/72/55/1112907255.db2.gz WCWVDTQJJIMZAF-QFIPXVFZSA-N 1 3 368.521 4.247 20 0 FIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000482334316 1113227981 /nfs/dbraw/zinc/22/79/81/1113227981.db2.gz NSAZRZFUJIJXDC-VGSWGCGISA-N 1 3 371.569 4.320 20 0 FIADHO CCOCCC[N@H+]1CC[C@H](NCc2cc(C)cc3c(C)c(C)[nH]c32)[C@H](C)C1 ZINC000482334316 1113227985 /nfs/dbraw/zinc/22/79/85/1113227985.db2.gz NSAZRZFUJIJXDC-VGSWGCGISA-N 1 3 371.569 4.320 20 0 FIADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(Cl)cc1Cl ZINC000482519352 1113282615 /nfs/dbraw/zinc/28/26/15/1113282615.db2.gz NHNAGLWEJVAHSI-HNAYVOBHSA-N 1 3 372.384 4.308 20 0 FIADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)COC2 ZINC000482870160 1113384188 /nfs/dbraw/zinc/38/41/88/1113384188.db2.gz DPGZVXAJSHFIKH-SFHVURJKSA-N 1 3 366.505 4.042 20 0 FIADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000490167618 1114228286 /nfs/dbraw/zinc/22/82/86/1114228286.db2.gz LKKJWONOYZQLAN-URXFXBBRSA-N 1 3 365.565 4.008 20 0 FIADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000571781269 1114537147 /nfs/dbraw/zinc/53/71/47/1114537147.db2.gz RIPCKNWKOGBYRM-CEMLEFRQSA-N 1 3 370.581 4.330 20 0 FIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000590786882 1114973910 /nfs/dbraw/zinc/97/39/10/1114973910.db2.gz IGPFYYFVMNYTLP-UHFFFAOYSA-N 1 3 353.510 4.426 20 0 FIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000590786882 1114973913 /nfs/dbraw/zinc/97/39/13/1114973913.db2.gz IGPFYYFVMNYTLP-UHFFFAOYSA-N 1 3 353.510 4.426 20 0 FIADHO C[C@H]([NH3+])C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000573444649 1115103099 /nfs/dbraw/zinc/10/30/99/1115103099.db2.gz HKUFGHOLGBBLKM-ZDUSSCGKSA-N 1 3 374.941 4.275 20 0 FIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(O)(c4ccccc4)CC3)CC2)C1 ZINC000760908724 1115170408 /nfs/dbraw/zinc/17/04/08/1115170408.db2.gz QJCPUEOEEOVRHB-VCERZCPPSA-N 1 3 370.581 4.450 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Br)cn1 ZINC000574811640 1115497154 /nfs/dbraw/zinc/49/71/54/1115497154.db2.gz LSQUIZZYCPZDLZ-CABCVRRESA-N 1 3 354.336 4.007 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Br)cn1 ZINC000574811640 1115497155 /nfs/dbraw/zinc/49/71/55/1115497155.db2.gz LSQUIZZYCPZDLZ-CABCVRRESA-N 1 3 354.336 4.007 20 0 FIADHO C[C@H]1CN(CC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000607151515 1116003534 /nfs/dbraw/zinc/00/35/34/1116003534.db2.gz RFXLSMKKRVYXPV-ROUUACIJSA-N 1 3 364.961 4.094 20 0 FIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)c(F)c1 ZINC000534331539 1116185503 /nfs/dbraw/zinc/18/55/03/1116185503.db2.gz NSJXESXZGIXDHJ-AWEZNQCLSA-N 1 3 350.865 4.270 20 0 FIADHO Fc1ccc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000539821217 1116385769 /nfs/dbraw/zinc/38/57/69/1116385769.db2.gz YYJPTFLSAYZNSO-UHFFFAOYSA-N 1 3 372.484 4.163 20 0 FIADHO CC[N@H+](CCC1CCN(Cc2cccc(OC)c2OC)CC1)CC1CC1 ZINC000539957593 1117775603 /nfs/dbraw/zinc/77/56/03/1117775603.db2.gz XZSPHPAJKGHBAL-UHFFFAOYSA-N 1 3 360.542 4.038 20 0 FIADHO CC[N@@H+](CCC1CCN(Cc2cccc(OC)c2OC)CC1)CC1CC1 ZINC000539957593 1117775609 /nfs/dbraw/zinc/77/56/09/1117775609.db2.gz XZSPHPAJKGHBAL-UHFFFAOYSA-N 1 3 360.542 4.038 20 0 FIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2c(O)cccc21 ZINC000462810205 1117779889 /nfs/dbraw/zinc/77/98/89/1117779889.db2.gz ZNMIXYFXVAPOTJ-YHYVQYDKSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2c(O)cccc21 ZINC000462810205 1117779892 /nfs/dbraw/zinc/77/98/92/1117779892.db2.gz ZNMIXYFXVAPOTJ-YHYVQYDKSA-N 1 3 350.506 4.270 20 0 FIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176637 1117916416 /nfs/dbraw/zinc/91/64/16/1117916416.db2.gz UJBNWNPVRJSSTO-UWJYYQICSA-N 1 3 374.475 4.331 20 0 FIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000540176637 1117916417 /nfs/dbraw/zinc/91/64/17/1117916417.db2.gz UJBNWNPVRJSSTO-UWJYYQICSA-N 1 3 374.475 4.331 20 0 FIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262178 1117962443 /nfs/dbraw/zinc/96/24/43/1117962443.db2.gz GMXYUXYROXNBLD-RDTXWAMCSA-N 1 3 351.332 4.222 20 0 FIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540262178 1117962446 /nfs/dbraw/zinc/96/24/46/1117962446.db2.gz GMXYUXYROXNBLD-RDTXWAMCSA-N 1 3 351.332 4.222 20 0 FIADHO COc1ccc([C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302003 1117976802 /nfs/dbraw/zinc/97/68/02/1117976802.db2.gz MHHQNCUBVRHZEM-RDPSFJRHSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302003 1117976805 /nfs/dbraw/zinc/97/68/05/1117976805.db2.gz MHHQNCUBVRHZEM-RDPSFJRHSA-N 1 3 364.533 4.301 20 0 FIADHO COc1ccc([C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000540302003 1117976807 /nfs/dbraw/zinc/97/68/07/1117976807.db2.gz MHHQNCUBVRHZEM-RDPSFJRHSA-N 1 3 364.533 4.301 20 0 FIADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463145410 1117982330 /nfs/dbraw/zinc/98/23/30/1117982330.db2.gz YGOMXRJBCSZDDK-SFHVURJKSA-N 1 3 363.977 4.159 20 0 FIADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)CCN1Cc1ccccc1 ZINC000463137724 1117986163 /nfs/dbraw/zinc/98/61/63/1117986163.db2.gz MPAHNAJJIMJDTC-SXSPYAJSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@H](c2cccc(F)c2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463137724 1117986166 /nfs/dbraw/zinc/98/61/66/1117986166.db2.gz MPAHNAJJIMJDTC-SXSPYAJSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1C[C@H](NC[C@H](c2cccc(F)c2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463137724 1117986169 /nfs/dbraw/zinc/98/61/69/1117986169.db2.gz MPAHNAJJIMJDTC-SXSPYAJSSA-N 1 3 369.528 4.071 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000540419298 1118045529 /nfs/dbraw/zinc/04/55/29/1118045529.db2.gz WFINIWQLHAMGEQ-IGCXYCKISA-N 1 3 369.372 4.163 20 0 FIADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000540419298 1118045532 /nfs/dbraw/zinc/04/55/32/1118045532.db2.gz WFINIWQLHAMGEQ-IGCXYCKISA-N 1 3 369.372 4.163 20 0 FIADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000540596741 1118140369 /nfs/dbraw/zinc/14/03/69/1118140369.db2.gz GYIQURGYHTUKIW-SFHVURJKSA-N 1 3 365.521 4.264 20 0 FIADHO CC(C)[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccccc2o1 ZINC000540658648 1118177608 /nfs/dbraw/zinc/17/76/08/1118177608.db2.gz PTPJRFYWFZNSJX-JTAQYXEDSA-N 1 3 370.537 4.487 20 0 FIADHO CC[NH+]1CCC(N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540778304 1118240964 /nfs/dbraw/zinc/24/09/64/1118240964.db2.gz HWGASQFLBXCVKT-VQTJNVASSA-N 1 3 367.940 4.077 20 0 FIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC(=O)Nc2ccccc21 ZINC000541550170 1118559467 /nfs/dbraw/zinc/55/94/67/1118559467.db2.gz XRIADRUQMXIYHW-HXUWFJFHSA-N 1 3 351.494 4.092 20 0 FIADHO CC(C)c1ccc([C@H](C)[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000541663170 1118596439 /nfs/dbraw/zinc/59/64/39/1118596439.db2.gz YJTOGSRGKKASSZ-FQEVSTJZSA-N 1 3 357.586 4.221 20 0 FIADHO CN(CCCOc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839305 1118708765 /nfs/dbraw/zinc/70/87/65/1118708765.db2.gz QLQDZHUMIVTMIC-HXUWFJFHSA-N 1 3 356.485 4.049 20 0 FIADHO CN(CCCOc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839305 1118708770 /nfs/dbraw/zinc/70/87/70/1118708770.db2.gz QLQDZHUMIVTMIC-HXUWFJFHSA-N 1 3 356.485 4.049 20 0 FIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178012377 1119364892 /nfs/dbraw/zinc/36/48/92/1119364892.db2.gz OZBWDWNTKLUOQQ-NSYGIPOTSA-N 1 3 358.551 4.115 20 0 FIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178012377 1119364894 /nfs/dbraw/zinc/36/48/94/1119364894.db2.gz OZBWDWNTKLUOQQ-NSYGIPOTSA-N 1 3 358.551 4.115 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311890645 1119393793 /nfs/dbraw/zinc/39/37/93/1119393793.db2.gz DEAUDQNNPMULBG-AUSIDOKSSA-N 1 3 350.506 4.184 20 0 FIADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311890645 1119393798 /nfs/dbraw/zinc/39/37/98/1119393798.db2.gz DEAUDQNNPMULBG-AUSIDOKSSA-N 1 3 350.506 4.184 20 0 FIADHO CO[C@H](c1ccccc1)[C@H](C)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000493896955 1119507752 /nfs/dbraw/zinc/50/77/52/1119507752.db2.gz KLQWYWAEUYOEKC-CVDCTZTESA-N 1 3 352.522 4.325 20 0 FIADHO CC(C)N1CCN(CCC[N@H+](C)C2c3ccccc3-c3ccccc32)CC1 ZINC000191580774 1119985516 /nfs/dbraw/zinc/98/55/16/1119985516.db2.gz KJZCJBVHRCJPTH-UHFFFAOYSA-N 1 3 363.549 4.104 20 0 FIADHO CC(C)N1CCN(CCC[N@@H+](C)C2c3ccccc3-c3ccccc32)CC1 ZINC000191580774 1119985519 /nfs/dbraw/zinc/98/55/19/1119985519.db2.gz KJZCJBVHRCJPTH-UHFFFAOYSA-N 1 3 363.549 4.104 20 0 FIADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727639 1120078575 /nfs/dbraw/zinc/07/85/75/1120078575.db2.gz JZJUYAZFAHHKKK-XZOQPEGZSA-N 1 3 357.586 4.061 20 0 FIADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192727639 1120078583 /nfs/dbraw/zinc/07/85/83/1120078583.db2.gz JZJUYAZFAHHKKK-XZOQPEGZSA-N 1 3 357.586 4.061 20 0 FIADHO Fc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000192934821 1120091564 /nfs/dbraw/zinc/09/15/64/1120091564.db2.gz KOZVYPPTYQGFLC-KRWDZBQOSA-N 1 3 364.411 4.039 20 0 FIADHO C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000542534267 1120436045 /nfs/dbraw/zinc/43/60/45/1120436045.db2.gz RNHNTTUBGLLMTL-SJORKVTESA-N 1 3 350.934 4.352 20 0 FIADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495431940 1120816781 /nfs/dbraw/zinc/81/67/81/1120816781.db2.gz GALCVQMOGDVRFX-MZKRTTBSSA-N 1 3 374.532 4.434 20 0 FIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cc(Br)ncc1F ZINC000762738588 1120956997 /nfs/dbraw/zinc/95/69/97/1120956997.db2.gz UWSCJGLFGBPKQJ-KBPBESRZSA-N 1 3 372.326 4.146 20 0 FIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cc(Br)ncc1F ZINC000762738588 1120957001 /nfs/dbraw/zinc/95/70/01/1120957001.db2.gz UWSCJGLFGBPKQJ-KBPBESRZSA-N 1 3 372.326 4.146 20 0 FIADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000397543411 1121214897 /nfs/dbraw/zinc/21/48/97/1121214897.db2.gz CLYQXUONXGWQKT-KRWDZBQOSA-N 1 3 358.913 4.018 20 0 FIADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000397562847 1121222430 /nfs/dbraw/zinc/22/24/30/1121222430.db2.gz YTIMCHXBQSIIER-KRWDZBQOSA-N 1 3 358.913 4.018 20 0 FIADHO Brc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000166263138 1121468050 /nfs/dbraw/zinc/46/80/50/1121468050.db2.gz CQFCYXARNQDGNX-QZTJIDSGSA-N 1 3 363.343 4.087 20 0 FIADHO Brc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c1 ZINC000166263138 1121468054 /nfs/dbraw/zinc/46/80/54/1121468054.db2.gz CQFCYXARNQDGNX-QZTJIDSGSA-N 1 3 363.343 4.087 20 0 FIADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cccc4ccccc43)cc2)CC1 ZINC000061070099 1121506892 /nfs/dbraw/zinc/50/68/92/1121506892.db2.gz NDRIDUKKEAZAAT-UHFFFAOYSA-N 1 3 373.544 4.267 20 0 FIADHO COc1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000125077709 1121745265 /nfs/dbraw/zinc/74/52/65/1121745265.db2.gz UWYIXZHYWQLZKZ-GAJHUEQPSA-N 1 3 350.506 4.498 20 0 FIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168608274 1121970622 /nfs/dbraw/zinc/97/06/22/1121970622.db2.gz CRNDTMNGIZNDQI-KNQAVFIVSA-N 1 3 360.542 4.158 20 0 FIADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCO2 ZINC000126709608 1121978865 /nfs/dbraw/zinc/97/88/65/1121978865.db2.gz HFOBAWUCHLIZMF-PGRDOPGGSA-N 1 3 372.553 4.114 20 0 FIADHO COc1ccc(OC(F)F)c(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000497291875 1122004432 /nfs/dbraw/zinc/00/44/32/1122004432.db2.gz FLWWNOPHNREKOP-HZPDHXFCSA-N 1 3 370.484 4.144 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126836885 1122015573 /nfs/dbraw/zinc/01/55/73/1122015573.db2.gz CRFSNDLUTXDSDK-IRXDYDNUSA-N 1 3 372.534 4.082 20 0 FIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCCO2 ZINC000126836885 1122015584 /nfs/dbraw/zinc/01/55/84/1122015584.db2.gz CRFSNDLUTXDSDK-IRXDYDNUSA-N 1 3 372.534 4.082 20 0 FIADHO CC(C)(C)N1CCC([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000917437564 1122304587 /nfs/dbraw/zinc/30/45/87/1122304587.db2.gz OPRRZQZVGJKRLR-UHFFFAOYSA-N 1 3 368.550 4.415 20 0 FIADHO COc1cccc(N2CCC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000128745316 1122396265 /nfs/dbraw/zinc/39/62/65/1122396265.db2.gz TYEYEKJAKTVWIT-HXUWFJFHSA-N 1 3 371.569 4.051 20 0 FIADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556232850 1122749556 /nfs/dbraw/zinc/74/95/56/1122749556.db2.gz LGNIDBIDOUUSCD-VSKRKVRLSA-N 1 3 356.554 4.084 20 0 FIADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCC[C@@H]3C3CC3)C3(C2)CCOCC3)cc1 ZINC000556233543 1122751542 /nfs/dbraw/zinc/75/15/42/1122751542.db2.gz QJHWRGCRBSRDQZ-YTFSRNRJSA-N 1 3 368.565 4.084 20 0 FIADHO CC(C)CCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133155584 1123436611 /nfs/dbraw/zinc/43/66/11/1123436611.db2.gz OXSAUGUVPZFKHB-VQTJNVASSA-N 1 3 374.569 4.263 20 0 FIADHO CC(C)Oc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000134023560 1123585132 /nfs/dbraw/zinc/58/51/32/1123585132.db2.gz UFHRQXAQZUVVSZ-SFHVURJKSA-N 1 3 356.510 4.265 20 0 FIADHO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237552280 1123639374 /nfs/dbraw/zinc/63/93/74/1123639374.db2.gz MRFDVIZLHGCYMK-HNNXBMFYSA-N 1 3 359.901 4.022 20 0 FIADHO Cc1cc(C[NH2+]CCCN2CCCCC2)cc(C)c1OCc1ccccn1 ZINC000237620673 1124001163 /nfs/dbraw/zinc/00/11/63/1124001163.db2.gz CBWBIKDHLWCRFK-UHFFFAOYSA-N 1 3 367.537 4.243 20 0 FIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474598283 1124216908 /nfs/dbraw/zinc/21/69/08/1124216908.db2.gz KQQQNQVHQDQRTG-GSXDDRDBSA-N 1 3 364.496 4.223 20 0 FIADHO CCSc1ccccc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000246296218 1124438227 /nfs/dbraw/zinc/43/82/27/1124438227.db2.gz CTIHQGANNQOVFK-FFZOFVMBSA-N 1 3 362.583 4.217 20 0 FIADHO Cc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000542846540 1124442119 /nfs/dbraw/zinc/44/21/19/1124442119.db2.gz MMANULMQIAYGLM-AVRDEDQJSA-N 1 3 370.512 4.250 20 0 FIADHO Cc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000542846540 1124442121 /nfs/dbraw/zinc/44/21/21/1124442121.db2.gz MMANULMQIAYGLM-AVRDEDQJSA-N 1 3 370.512 4.250 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000542846552 1124442334 /nfs/dbraw/zinc/44/23/34/1124442334.db2.gz MMANULMQIAYGLM-GCJKJVERSA-N 1 3 370.512 4.250 20 0 FIADHO Cc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(C)c1F ZINC000542846552 1124442370 /nfs/dbraw/zinc/44/23/70/1124442370.db2.gz MMANULMQIAYGLM-GCJKJVERSA-N 1 3 370.512 4.250 20 0 FIADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1)C1CC1 ZINC000072839911 1124576504 /nfs/dbraw/zinc/57/65/04/1124576504.db2.gz JBUFJSYWNXFCCR-UHFFFAOYSA-N 1 3 365.521 4.293 20 0 FIADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1)C1CC1 ZINC000072839911 1124576508 /nfs/dbraw/zinc/57/65/08/1124576508.db2.gz JBUFJSYWNXFCCR-UHFFFAOYSA-N 1 3 365.521 4.293 20 0 FIADHO CCCCN1CCC([N@H+](C)Cc2cccc(Br)c2C)CC1 ZINC001236609954 1124584986 /nfs/dbraw/zinc/58/49/86/1124584986.db2.gz YJQKOWKUQAIYIG-UHFFFAOYSA-N 1 3 353.348 4.454 20 0 FIADHO CCCCN1CCC([N@@H+](C)Cc2cccc(Br)c2C)CC1 ZINC001236609954 1124584988 /nfs/dbraw/zinc/58/49/88/1124584988.db2.gz YJQKOWKUQAIYIG-UHFFFAOYSA-N 1 3 353.348 4.454 20 0 FIADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)[C@H](C)C1 ZINC000248066029 1124740220 /nfs/dbraw/zinc/74/02/20/1124740220.db2.gz MGCRAZDFUQKPPQ-NUJGCVRESA-N 1 3 361.555 4.084 20 0 FIADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000248913056 1124827537 /nfs/dbraw/zinc/82/75/37/1124827537.db2.gz VRQYRZLSQRZEDT-BULFRSBZSA-N 1 3 374.569 4.282 20 0 FIADHO Cc1nc2ccccc2nc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476976118 1125004475 /nfs/dbraw/zinc/00/44/75/1125004475.db2.gz VNIPEFBUZKDWAY-GOSISDBHSA-N 1 3 366.553 4.415 20 0 FIADHO Cc1nc2ccccc2nc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476976118 1125004481 /nfs/dbraw/zinc/00/44/81/1125004481.db2.gz VNIPEFBUZKDWAY-GOSISDBHSA-N 1 3 366.553 4.415 20 0 FIADHO Cc1nc2c(s1)[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CCC2 ZINC000359892378 223135196 /nfs/dbraw/zinc/13/51/96/223135196.db2.gz BGIUMOSVYZZDAZ-KDOFPFPSSA-N 1 3 359.539 4.120 20 0 FIADHO Clc1ccccc1Cn1cc(CNCCCCC[NH+]2CCCCC2)cn1 ZINC000603516134 568111626 /nfs/dbraw/zinc/11/16/26/568111626.db2.gz LPWNWWNGRCIAID-UHFFFAOYSA-N 1 3 374.960 4.331 20 0 FIADHO COCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563120758 568222011 /nfs/dbraw/zinc/22/20/11/568222011.db2.gz HVGVJRHIMCTLJZ-JOCHJYFZSA-N 1 3 350.506 4.120 20 0 FIADHO COCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563120758 568222012 /nfs/dbraw/zinc/22/20/12/568222012.db2.gz HVGVJRHIMCTLJZ-JOCHJYFZSA-N 1 3 350.506 4.120 20 0 FIADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120078 568224813 /nfs/dbraw/zinc/22/48/13/568224813.db2.gz QNZOPSGHSADHDO-UNMCSNQZSA-N 1 3 355.570 4.038 20 0 FIADHO C[NH2+]CCC1CCN(Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000563137713 568271540 /nfs/dbraw/zinc/27/15/40/568271540.db2.gz JRXHNKFRMKVNRB-UHFFFAOYSA-N 1 3 368.521 4.192 20 0 FIADHO